Publications

3. Basanta B; Kui B; Chan K; Barth P; King T; Hinshaw JR; Sosnick TR; Liu G; Everett J; Xiao R; Montelione GT; Baker D. Protein Science. 2016, 25: 1299 – 1307. Introduction of a polar core into the de novo designed protein Top7.  suppl. material.  PMC4918430. Pubmed.

4. Adams PD; Aertgeerts K; Bauer C; Bell JA; Berman HM; Bhat TN; Blaney J; Bolton E; Bricogne G; Brown D; Burley SK; Case DA; Clark KL; Darden T; Emsley P; Feher V; Feng Z; Groom CR; Harris SF; Hendle J; Holder T; Joachimiak A; Kleywegt G; Krojer T; Marcotrigiano J; Mark AE; Markley JL; Miller M; Minor W; Montelione GT; Murshudov G; Nakagawa A; Nakamura H; Nichols A; Nicklaus M; Nolte R; Padyana AK; Peishoff CE; Pieniazek S; Read RJ; Shao C; Sheriff S; Smart O; Soisson S; Spurlino J; Stouch T; Svobodova R; Tempel W; Terwilliger T; Tronrud D; Velankar S; Ward S; Warren G; Westbrook JD; Williams P; Yang H; Young J. Structure (Cell Press). 2016, 24: 502 – 508. Outcome of the first wwPDB/CCDC/D3R ligand validation workshop. suppl. material.  PMC5070601. Pubmed.

6. Zhang M; Yu XW; Swapna GVT; Xiao R; Zheng H; Sha C; Xu Y; Montelione GT. Microbial Cell Factories. 2016, 15: 123. Efficient production of 2H, 13C, 15N-enriched proteins with native disulfide bonds. Application to the enzyme Rhizopus chinensis lipase.  PMC494443. Pubmed.

7. Ma L-C; Guan R; Hamilton K; Aramini J; Mao L; Wang S; Krug RM; Montelione GT. Structure (Cell Press). 2016, 24: 1562 – 1572. A second RNA-binding site in the NS1 protein of influenza B virus.  suppl. material 1  suppl. material 2. PMC5014651. Pubmed.

8. Sachleben JR; Adhikari AN; Gawlak G; Hoey RJ; Liu G; Joachimiak A; Montelione GT; Sosnick TR; Koide S. Protein Science. 2016, 26: 208 – 217. Aromatic Claw: A new fold with high aromatic content that evades structural prediction.  suppl. material.  PMC5275723. Pubmed.

9. Cai K; Liu G; Frederick RO; Xiao R; Montelione GT; Markley JL. Structure (Cell Press). 2016, 24: 2080 – 2091. Structural/functional properties of human NFU1, an intermediate [4Fe-4S] carrier in human mitochondrial iron-sulfur cluster biogenesis.  suppl. material 1.  suppl. material 2.  PMC5166578. Pubmed.

2015

1. Parmeggiani F; Huang P-S; Vorobiev S; Xiao R; Park K; Caprari S; Su M; Jayaraman S; Mao L; Janjua H; Montelione GT; Hunt JF; Baker D. J Mol Biol. 2015, 427: 563 – 575. Beyond consensus: a general computational approach for repeat protein design.  suppl. material 1  suppl. material 2  MC4303030. Pubmed.

2. Rossi P; Shi L; Liu G; Barbieri CM; Lee H-W; Grant TD; Luft JR; Xiao R; Acton TB; Snell EH; Montelione GT; Baker D; Lange OF; Sgourakis NG. PROTEINS: Struc. Funct. Bioinformatics. 2015, 83: 309 – 317. A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta.  suppl. material. PMC5061451. Pubmed.

3. Luft JR; Wolfley JR; Franks EC; Lauricella AM; Gualtieri EJ; Snell EH; Xiao R; Everett JK; Montelione GT. Structural Dynamics. 2015, 2: 041710. The detection and subsequent volume optimization of biological nanocrystals.  PMC4711624.

4. Aiyer S; Rossi P; Malani N; Schneider WM; Chanda A; Bushman FD; Montelione GT; Roth MJ. Nucleic Acids Research. 2015, 43: 5647 – 5663. Structural and sequencing analysis of local target DNA recognition by MLV integrase.  PMC4477651. Pubmed.

5. Sali A; Berman HM; Schwede T; Trewhella J; Kleywegt G; Burley SK; Markley J; Nakamura H; Adams P; Bonvin AMJJ.; Chiu W; Dal Peraro M; Di Maio F; Ferrin TE; Grünewald K; Gutmanas A; Henderson R; Hummer G; Iwasaki K; Johnson G; Lawson KL; Meiler J; Marti-Renom MA; Montelione GT; Nilges M; Nussinov R; Patwardhan A; Rappsilber J; Read RJ; Saibil H; Schröder GF; Schwieters C; Seidel CAM; Svergun D; Topf M; Ulrich EL; Velankar S; Westbrook JD. Structure (Cell Press). 2015, 23: 1156 – 1167. Outcome of the first wwPDB hybrid / integrative methods task force workshop.  PMC4933300. Pubmed.

6. Gutmanas A; Adams PD; Bardiaux B; Berman HM; Case DA; Fogh RH; Güntert P; Hendrickx PMS; Herrmann T; Kleywegt GJ; Kobayashi N; Lange OF; Markley JL; Montelione GT; Nilges M; Ragan TJ; Schwieters, CD; Tejero R; Ulrich E; Velankar S; Vranken WF; Wedell JR; Westbrook J; Wishart DS; Vuister GW Nature Struct Mol Biol. 2015, 22: 433 – 434. NMR Exchange Format: a unified and open standard for representation of NMR restraint data.  PMC4546829. Pubmed.

7. Ragan TJ; Fogh RH; Tejero R; Vranken W; Montelione GT; Rosato A; Vuister GW. J Biomol NMR. 2015, 62: 527 – 540. Analysis of the structural quality of the CASD-NMR 2013 entries. suppl. material 1  suppl. material 2. PMC4569653. Pubmed.

8. Huang YJ; Mao B; Xu F; Montelione GT. J Biomol NMR. 2015, 62: 439 – 451. Guiding automated NMR structure determination using a global optimization metric, the NMR DP score. PMC4943320. Pubmed.

9. Rosato A; Vranken W; Fogh RH; Ragan TJ; Tejero R; Pederson K; Lee HW; Prestegard J; Yee A; Wu B; Lemak A; Houliston S; Arrowsmith C; Kennedy M; Acton TB; Liu G; Xiao R; Montelione GT; Vuister GW. J Biomol NMR. 2015, 62: 413 – 424. The second round of critical assessment of automated structure determination of proteins by NMR: CASD-NMR-2013.  suppl. material. PMC4569658.

10. Tang Y; Huang YJ; Hopf TA; Sanders C; Marks DS; Montelione GT. Nature Methods. 2015, 12: 751 – 754. Protein structure determination by combining sparse NMR spectroscopy data with evolutionary couplings.  suppl. material.  PMC4521990. Pubmed.

11. Aramini JM; Vorobiev SM; Tuberty LM; Janjua H; Campbell ET; Seethraman J; Su M; Huang YJ; Acton TB; Xiao R; Tong L; Montelione GT. Structure (Cell Press). 2015, 23: 1 – 12. The RAS- binding domain of human BRAF protein serine/threonine kinase exhibits allosteric conformational changes upon binding HRAS.  suppl. material 1. suppl. material 2.  PMC4963008. Pubmed.

12. Choi HW; Tian M; Song F; Venereau E; Preti A; Park SW; Hamilton K; Swapna GVT; Manohar M; Moreau M; Agresti A; Gorzanelli A; De Marchis F; Wang H; Antonyak M; Micikas RJ; Gentile DR; Cerione RA; Schroeder FC; Montelione GT; Bianchi ME; Klessig DF. Molecular Medicine. 2015, 21: 526 – 535. Aspirin’s active metabolite salicylic acid targets High Mobility 1 Group Box 1 (HMGB1) to modulate inflammatory responses.  PMC4607614. Pubmed.

13. Everett JK; Tejero R; Murthy SBK; Acton TB; Aramini JM; Baran MC; Benach J; Cort JR; Eletsky A; Forouhar F; Guan R; Kuzin AP; Lee HW; Liu G; Mani R; Mao B; Mills JL; Montelione AF; Pederson K; Powers R; Ramelot T; Rossi P; Seetharaman J; Snyder D; Swapna GVT; Vorobiev SM; Wu Y; Xiao R; Yang Y; Arrowsmith CH; Hunt JF; Kennedy MA; Prestegard JH; Szyperski T; Tong L; Montelione GT. Protein Science. 2015, 25: 30 – 45. A community resource of experimental data for NMR – X-ray crystal structure pairs.  suppl. material. PMC4815321.

14. Lin YR; Koga N; Tatsumi-Koga R; Liu G; Clouser AF; Montelione GT; Baker D. Proc Natl Acad Sci USA. 2015, 112: e5478 – 5485. Control over overall shape and size in de novo design proteins.  suppl. material.  PMC4603489. Pubmed.

15. Wolf C; Siegel JB; Tinberg C; Camarca A; Gianfrani C; Paski S; Guan R; Montelione GT; Baker D; Pultz IS. J Amer Chem Soc 2015, 137: 13106 – 13113. Engineering of Kuma030: a gliadin peptidase that rapidly degrades immunogenic gliadin peptides in gastric conditions.  suppl. material. PMC4958374. Pubmed.

16. King IC; Gleixner J; Doyle L; Kuzin A; Hunt JF; Xiao R; Montelione GT; Stoddard BL; DiMaio F; Baker D. eLIFE. 2015, 4: e11012. Precise assembly of complex beta sheet topologies from de novo design building blocks.  suppl. material. PMC4737653. Pubmed.

2014

1. Mao B; Tejero R; Baker D; Montelione GT. J Amer Chem Soc. 2014, 136: 1893 – 1906. Protein NMR structures refined with Rosetta have higher accuracy relative to corresponding X-ray crystal structures.  suppl material.  PMC4129517. Pubmed.

2. Vorobiev S; Gensler Y; Vahedian-Movahed H; Seetharaman J; Su M; Huang Y-P; Xiao R; Kornhaber G; Montelione GT; Tong L; Ebright RH; Nickels BE. Structure (Cell Press). 2014, 22: 488 – 495. Structure of the DNA-binding and RNA polymerase-binding region of transcription antitermination factor λQ.  suppl. material. PMC3951671. Pubmed.

3. Srinivisan B; Forouhar F; Shukla A; Sampangi C; Kulkarni S; Abashidze M; Seetharaman J; Lew S; Mao L; Acton T; Xiao R; Everett J; Montelione GT; Tong L; Balaram H. FEBS Lett. 2014, 281: 1613 – 1628. Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila  suppl. material 1  suppl. material 2.  PMC3982195. Pubmed.

4. Stark JL; Mehla K; Chaika N; Acton TB; Xiao R; Singh PK; Montelione GT; Powers R. Biochemistry. 2014, 53: 1360 – 1372. The structure and function of DnaJ homolog subfamily A member 1 (DNAJA1) and its relationship to pancreatic cancer.  PMC3985919. Pubmed.

5. Aramini JM; Hamilton K; Ma L-C; Swapna GVT; Leonard PG; Ladbury JE; Krug RM; Montelione GT. Structure (Cell Press). 2014, 22: 515 – 525. F NMR reveals multiple conformations at the dimer interface of the NS1 effector domain from influenza A virus.  suppl. material. PMC4110948. Pubmed.

6. Aiyer S; Swapna GVT; Malani N; Aramini JM; Schneider WM; Plumb MR; Ghanem M; Larue RC; Sharma A; Studamire B; Kvaratskhelia M; Bushman FD; Montelione GT; Roth MJ. Nucleic Acids Research. 2014, 42: 5917 – 5928. Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction  suppl. material. PMC4027182. Pubmed.

7. Pulavarti S; Eletsky A; Huang YJ; Acton TB; Xiao R; Everett JK; Montelione GT; Szyperski T. Biomol NMR Assign. 2014, 9: 135 – 138. Polypeptide backbone, Cb and methyl group resonance assignments of the 24 kDa plectin repeat domain 6 from human protein plectin.  PMC4194182. Pubmed.

8. Xu X; Pulavarti SV; Eletsky A; Huang YJ; Acton TB; Xiao R; Everett JK; Montelione GT; Szyperski T. J Struct Funct Genomics. 2014, 15: 201 – 207. Solution NMR structures of homeodomains from human proteins ALX4, ZHX1, and CASP8AP2 contribute to the structural coverage of the Human Cancer Protein Interaction Network.  suppl. material.  PMC4239167. Pubmed.

9. Sathyamoorthy B; Parish DM; Montelione GT; Xiao R; Szyperski T. Chem Physchem. 2014, 15: 1872 – 1879. Spatially selective heteronuclear multiple-quantum coherence spectroscopy for biomolecular NMR studies.  suppl. material.  PMC4121990. Pubmed.

10. Bruno EB; Ruby AM; Luft JR; Grant TD; Seetharaman J; Montelione GT; Hunt JF; Snell EH. PLoS One. 2014, 9: e100782. Comparing chemistry to outcome: The development of a chemical distance metric coupled with clustering and hierarchal visualization applied to macromolecular crystallography.  suppl. material. PMC4074061.

11. Pulavarti SV; Huang YJ; Pederson K; Acton TB; Xiao R; Everett JK; Prestegard JH; Montelione GT; Szyperski T. J Struct Funct Genomics. 2014, 15: 209 – 214. Solution NMR structures of immunoglobulin-like domains 7 and 12 from obscurin-like protein 1 contribute to the structural coverage of the human cancer protein interaction network.  suppl. material.  PMC4945113. Pubmed.

12. Eletsky A; Michalska K; Houliston S; Zhahttps://pubmed.ncbi.nlm.nih.gov/25010333/ng Q; Daily MD; Xu X; Cui H; Yee A; Lemak A; Wu B; Garcia M; Burnet MC; Meyer KM; Aryal UK; Sanchez O; Ansong C; Xiao R; Acton TB; Adkins JN; Montelione GT; Joachimiak A; Arrowsmith CH; Savchenko A; Szyperski T; Cort J.R. PLoS One. 2014, 9: e101787. Structural and functional characterization of DUF1471 domains of salmonella.  suppl. material. PMC4092069. Pubmed.

13. Elshahawi S; Ramelot T; Seetharaman J; Chen J; Singh S; Yang Y; Pederson K; Kharel M; Xiao R; Yennamalli R; Wang J; Tong L; Montelione G; Kennedy M; Bingman C; Phillips G; Thorson J. ACS Chemical Biology. 2014, 9: 2347 – 2358. Structure-guided functional characterization of enediyne self-sacrifice resistance proteins CalU16 and CalU19.  suppl. material. PMC4201346. Pubmed.

14. Yang Y; Ramelot TA; Lee HW; Xiao R; Everett JK; Montelione GT; Prestegard JH; Kennedy M. J Biomol NMR. 2014, 60: 189 – 195. Solution structure of the free Zα domain of human DLM-1 (ZBP1/DAI), a Z-DNA binding domain.  PMC4527548. Pubmed.

15. Yang Y; Ramelot TA; Lee HW; Xiao R; Everett, JK; Montelione GT; Prestegard JH; Kennedy M. J Biomol NMR. 2014, 60: 197 – 202. Solution structure of a C-terminal fragment (175-257) of CV_0373 protein from Chromobacterium violaceum adopts a winged helix-turn-helix (wHTH) fold.  PMC4928572. Pubmed.

16. Bruno A; Ruby A; Luft J; Grant T; Seetharman J; Hunt J; Montelione G; Snell E. Acta Cryst. 2014, A70: C1145. Chemical clustering and visualization applied to macromolecular crystallography. suppl. material.  PMC4074061. Pubmed.

17. Huang YJ; Mao B; Aramini J; Montelione GT. PROTEINS: Struct Funct Genomics. 2014, 82: Suppl 2: 43 – 56. Assessment of template based protein structure predictions in CASP10.  suppl. material 1.  suppl. material 2.  suppl. material 3.  suppl. material 4. PMC3932189. Pubmed.

18. Taylor T; Tai CH; Huang J; Block J; Bai H; Kryshtafovych A; Montelione GT; Lee B. PROTEINS: Struc Funct Genomics. 2014, 82: Suppl 2: 14 – 25. Definition and classification of evaluation units for CASP10.  PMC4133092. Pubmed.

19. Snyder DA; Grullon J; Huang Y.J; Tejero R; Montelione GT. PROTEINS: Struc Funct Genomics. 2014, 82: Suppl 2: 219 – 230. The expanded FindCore method for identification of a core atom set for assessment of protein structure prediction.  suppl. material. PMC3932188. Pubmed.

2013

1. Rossi P; Barbieri CM; Aramini JM; Bini E; Xiao R; Acton TB; Montelione GT. Nucleic Acids Research. 2013, 41: 2756 – 2768. Structures of apo- and ssDNA-bound YdbC from Lactococcus lactis uncover the role of protein family DUF2128 and expand the single-stranded DNA binding domain proteome.  suppl. material. PMC3575825. Pubmed.

2. Mills J; Acton TB; Xiao R; Everett JK; Montelione GT; Szyperski T. J Struct Funct Genomics. 2013, 14: 19 – 24. Solution NMR structure of the helicase associated domain BVU_0683(627-691) from Bacteroides vulgatus provides first structural coverage for protein domain family PF03457 and indicates domain binding to DNA.  suppl. material. PMC3637686. Pubmed.

3. Bjelic S; Nivón LG; Celebi-Ölçüm N; Kiss G; Rosewall CF; Lovick HM; Ingalls EL; Gallaher JL; Seetharaman J; Lew S; Montelione GT; Hunt J.F.; Michael, F.E.; Houk, K.N.; Baker, D. ACS Chem. Biol. 2013, 8: 749 – 757. Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.  suppl. material. PMC3647451. Pubmed.

4. Forouhar F; Arragain S; Atta M; Gambarelli S; Mouesca JM; Hussain M; Xiao R; Kieffer-Jaquinod S; Seetharaman J; Acton TB; Montelione GT; Mulliez E; Hunt JF; Fontecave M. Nature Chemical Biology. 2013, 9: 333 – 338. Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases.  suppl. material. PMC4118475. Pubmed.

5. Froese DS; Forouhar F; Tran TH; Vollmar M; Kim Y; Lew S; Neely H; Seetharaman J; Shen Y; Xiao R; Acton TB; Everett JK; Cannone G; Puranik S; Savitsky P; Krojer T; Pilka ES; Kiyani W; Lee WH; Marsden BD; von Delft F; Allerston CK; Spagnolo L; Gileadi O; Montelione GT; Oppermann U; Yue WW; Tong L. Structure (Cell Press). 2013, 21: 1182 – 1192. Crystal structures of malonyl-CoA decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.  suppl. material. PMC3701320. Pubmed.

6. Procko E; Hedman R; Hamilton K; Seetharaman J; Fleishman S; Su M; Aramini J; Kornhaber G; Hunt J; Tong L; Montelione G; Baker D. J Mol Biol. 2013, 425: 3563 – 3575. Computational design of a protein-based enzyme inhibitor.  suppl. material. PMC3818146. Pubmed.

7. Tejero R; Snyder D; Mao B; Aramini JM; Montelione GT; J Biomol NMR. 2013, 56: 337 – 351. PDBStat: A universal restraint converter and restraint analysis software package for protein NMR.  suppl. material. PMC3932191. Pubmed.

8. Rosato A; Tejero R; Montelione GT. Current Opinions in Structural Biology. 2013, 23: 715 – 724. Quality assessment of protein NMR structures.  PMC4110634. Pubmed.

9. Montelione GT; Nilges M; Bax A; Güntert P; Herrmann T; Richardso JS; Schwieters C; Vranken WF; Vuister GW; Wishart DS; Berman H;. Kleywegt GJ; Markley JL. Structure (Cell Press). 2013, 21: 1563 – 1570. Recommendations of the wwPDB NMR validation task force.  PMC3884077. Pubmed.

10. Neklesa TK; Noblin DJ; Kuzin AP; Lew S; Seetharaman J; Acton TB; Kornhaber G; Xiao R; Montelione GT; Tong L; Crews CM. ACS Chem Biol. 2013, 8: 2293 – 2300. A bidirectional system for the dynamic small molecule control of intracellular fusion proteins.  suppl. material. PMC4113957. Pubmed.

11. Pulavarti S; Eletsky A; Lee HW; Acton TB; Xiao R; Everett JK; Prestegard JH; Montelione GT; Szyperski T. J Struct Funct Genomics. 2013, 14: 155 – 160. Solution NMR structure of CD1104B from pathogenic Clostridium difficile reveals a distinct αhelical architecture and provides first structural representative of protein domain family PF14203.  suppl. material. PMC3844015. Pubmed.

12. Ramelot TA; Yang Y; Sahu I.D; Lee HW; Xiao R; Lorigan GA; Montelione GT; Kennedey M. FEBS Lett. 2013, 587: 3522 – 3528. NMR structure and MD simulations of the AAA protease intermembrane space domain indicates peripheral membrane localization within the hexaoligomer.  suppl. material. PMC4043124.

13. Xu SY; Kuzin AP; Seetharaman J; Gutjahr A; Chan SH; Chen Y; Xiao R; Acton TB; Montelione GT; Tong L. PLoS One. 2013, 8:e72114. Structure determination and biochemical characterization of a putative HNH endonuclease from Geobacter metallireducens GS-15.  suppl. material. PMC3765158.

14. Meng L; Forouhar F; Thieker D; Gao Z; Ramiah A; Moniz H; Seetharaman J; Milaninia S; Su M; Bridger R; Veillon L; Azadi P; Kornhaber G; Wells L; Montelione G; Woods RJ; Tong L; Moremen KW.  J Biol Chem. 2013, 288: 34680 – 34698. Enzymatic basis for N-glycan sialylation: structure of ST6GAL1 reveals conserved and unique features for glycan sialylation.  suppl. material. PMC3843080. Pubmed.

15. Pulavarti S; He Y; Feldmann EA; Eletsky A; Acton TB; Xiao R; Everett JK; Montelione GT; Kennedy MA; Szyperski T. J Struct Funct Genomics. 2013, 14: 119 – 126. Solution NMR structures provide first structural coverage of the large protein domain family PF08369 and complementary structural coverage of dark operative protochlorophyllide oxidoreductase complexes.  suppl. material. PMC3982801. Pubmed.

16. Kronfel CM; Kuzin AP; Forouhar F; Biswas A; Su M; Lew S; Seetharaman J; Xiao R; Everett JK; Ma LC; Acton TB; Montelione GT; Hunt JF; Paul CEC; Dragomani TM; Boutaghou, MN; Cole RB; Riml C; Alvey RM; Bryant DA; Schluchter WM. Biochemistry. 2013, 52: 8663 – 8676. Structural and biochemical characterization of the bilin lyase CpcS from Thermosynechococcus elongates.  suppl. material. PMC3932240. Pubmed.

17. Huang Y.J; Acton TB; Montelione GT. Methods in Mol Biol. 2013, 1091: 3 – 16. DisMeta – a meta server for construct design and optimization.  PMC4115584. Pubmed.

18. Uemura Y; Nakagawa N; WakamatsuT; Kim K; Montelione GT; Hunt JF; Kuramitsu S; Masui R. FEBS Lett. 2013, 587: 2669 – 2674. Crystal structure of the ligand-binding form of nanoRNase from Bacteroides fragilis, a member of the DHH/DHHA1 phosphoesterase family of proteins.  suppl. material. PMC4113422. Pubmed.

2012

1. Thompson J; Sgourakis NG; Liu G; Rossi P; Tang Y; Mills J; Szyperski T; Montelione G; Baker D. Proc Natl Acad Sci USA. 2012, 109: 9875 – 9880. Accurate protein structure modeling using sparse NMR data and homologous structure information.  suppl. material.  PMC3382498. Pubmed.

2. Rosato A; Aramini JM; Arrowsmith C; Bagaria A; Baker D; Cavalli A; Doreleijers JF; Eletsky A; Giachetti A; Guerry P; Gutmanas A; Güntert P; He Y; Herrmann T; Huang YJ; Jaravine V; Jonker HRA; Kennedy MA; Lange OF; Liu G; Malliavan TE; Mani R; Mao B; Montelione GT; Nilges M; Possi P; van der Schot G; Schwalbe H; Szyperski TA; Vendruscolo M; Vernon R; Vranken WF; de Vries S; Vuister GW; Wu B; Yang Y; Bonvin A.M.J.J. Structure (Cell Press) 2012, 20: 227 – 236. Blind testing of routine, fully automated determination of protein structures from NMR data.  suppl. material 1.  suppl. material 2. PMC3609704. Pubmed.

3. Ramelot TA; Yang Y; Xiao R; Acton TB; Everett JK; Montelione GT; Kennedy MA. PROTEINS: Struct Funct Bioinformatics. 2012, 2: 667 – 670. Solution NMR structure of BT_0084, a conjugative transposon lipoprotein from Bacteroides thetaiotamicron.  suppl. material. PMC3766420. Pubmed.

4. Bagaria A; Jaravine V; Huang YJ; Montelione GT; Güntert P. Protein Science. 2012, 21: 229 – 238. Protein structure validation by generalized linear model root-mean-square deviation prediction.  suppl. material. PMC3324767. Pubmed.

5. Kobayashi H; Swapna GVT; Wu KP; Afinogenova Y; Conover K; Mao B; Montelione GT; Inouye M. J Biomol NMR. 2012, 52: 303 – 313. Segmental isotope labeling of proteins for NMR structural study using a protein S tag for higher expression and solubility.  suppl. material 1.  suppl. material 2.  PMC4117381. Pubmed.

6. Eletsky A; Petrey D; Zhang QC; Lee HW; Acton T; Xiao R; Everett J; Prestegard J; Honig B; Montelione GT; Szyperski T. J Struct Funct Genomics. 2012, 13: 1 – Solution NMR structures reveal unique homodimer formation by a winged helix-turn-helix motif and provide first structures for protein domain family PF10771.  suppl. material.  PMC3654790. Pubmed.

7. Eletsky A; Acton T; Xiao R; Everett J; Montelione GT; Szyperski T. J Struct Funct Genomics. 2012, 13: 9 –  Solution NMR structures reveal a distinct architecture and provide first structures for protein domain family PF04536.  suppl. material.  PMC360422. Pubmed.

8. Wu Y; Punta M; Xiao R; Acton T; Sathyamoorthy B; Dey F; Fischer M; Skerra A; Rost B; Montelione GT; Szyperski T. PLOS One. 2012, 7: e37404. NMR structure of lipoprotein YxeF from Bacillus subtilis reveals a calycin fold and distant homology with the lipocalin Blc from Escherichia coli.  PMC3367933. Pubmed.

9. Ertekin A; Aramini JM; Rossi P; Leonard PG; Janjua H; Xiao R; Maglaqui M; Lee HW; Prestegard JH; Montelione GT. J Biol Chem. 2012, 287: 16541 – 16549. Human cyclin dependent kinase 2 associated protein 1 is dimeric in its disulfide-reduced state, with natively disordered n-terminal region.  suppl. material. PMC3351331. Pubmed.

10. Huang Y; Rosato A; Singh G; Montelione GT. Nucleic Acids Research. 2012, 40: W542 – 546. RPF – A quality assessment tool for protein NMR structures.  PMC3394279. Pubmed.

11. Snyder D; Aramini JM; Yu B; Huang Y; Xiao R; Cort J; Shastry R; Ma LM; Liu J; Rost B; Action T; Kennedy M; Montelione GT. PROTEINS: Struct Funct Genomics. 2012, 80: 1901 – 1906. Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus.  suppl. material.  PMC3639469. Pubmed.

12. Montelione GT. Faculty 1000 Commentary. 2012, 4: 7. The Protein Structure Initiative: achievements and visions for the future.  PMC3318194.

13. Lange OF; Rossi P; Sgourakis N; Song Y; Lee HW; Aramini JM; Ertekin A; Xiao R; Acton TB; Montelione GT; Baker D. Proc Natl Acad Sci U.S.A. 2012, 109: 10873 – 10878. The determination of solution structures of proteins up to 40 kDa using CS- Rosetta with sparse NMR data from deuterated samples.  PMC3390869.

14. Feldmann EA; Seetharaman J; Ramelot TA; Lew S; Zhao L; Hamilton K; Ciccosanti C; Xiao R; Acton TB; Everett JK; Tong L; Montelione GT; Kennedy MA. J Struct Funct Genomics. 2012, 13: 155 – 162. Solution NMR and X-ray crystal structure of Pspto_3016 from Pseudomonas syringae, a member of protein domain family PF04237 (DUF419) that adopts a “double wing” DNA binding motif.  suppl. material. PMC3697073.

15. Vorobiev SM; Neely H; Yu B; Seetharaman J; Xiao R; Acton TB; Montelione GT; Hunt JF. J Struct Funct Genomics. 2012, 13: 177 – 183. Crystal structure of a catalytically active GG(D/E)EF diguanylate cyclase domain from Marinobacter aquaeolei with bound c-di-GMP product.  suppl. material. PMC3683829. Pubmed.

16. Swapna GVT; Rossi P; Montelione AF; Benach J; Yu B; Abashidze M; Seetharaman J; Xiao R; Acton TB; Tong L; Montelione GT. J Struct Funct Genomics. 2012, 13: 163 – 170. Three structural representatives of the PF06855 protein domain family from Staphyloccocus aureus and Bacillus subtilis have SAM domain- like folds and different functions.  PMC4075964. Pubmed.

17. Aramini JM; Petrey D; Lee DY; Janjua H; Xiao R; Acton TB; Everett JK; Montelione G.T. J Struct Funct Genomics. 2012, 13: 171 – 176. Solution NMR structure of Alr2454 from Nostoc sp. PCC 7120, the first structural representative of Pfam domain family PF11267.  suppl. material. PMC3897273. Pubmed.

18. Aramini JM; Hamilton K; Rossi P; Ertekin A; Lee HW; Lemak A; Wang H; Xiao R; Acton TB; Everett JK; Montelione GT. Biochemistry. 2012, 51: 3705 – 3707. Solution NMR structure, backbone dynamics, and heme-binding properties of a novel cytochrome c maturation protein CcmE from Desulfovibrio vulgaris.  suppl. material.  PMC3366507. Pubmed.

19. Aziz A; Hess JF; Budamagunta MS; Voss JC; Kuzin AP; Huang YJ; Xiao R; Montelione GT; Fitzgerald PG; Hunt JF. J Biol Chem. 2012, 287: 28349 – 283461. The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and x-ray crystallography.  PMC3436525. Pubmed.

20. Cho EJ; Xia S; Ma LC; Robertus J; Krug RM; Anslyn EV; Montelione GT; Ellington AD. J Biomol Screen. 2012, 17: 448 – 459. Identification of influenza virus inhibitors targeting NS1A utilizing fluorescence polarization-based high-throughput assay. Pubmed.

21. Ramelot TA; Rossi P; Forouhar F; Lee HW; Yang Y; Ni S; Unser S; Lew S; Seetharaman J; Xiao R; Acton TB; Everett JK; Prestegard JH; Hunt JF; Montelione GT; Kennedy MA. Biochemistry. 2012, 51: 7239 – 7249. Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long chain fatty acids in open and closed conformations.  suppl. material. PMC4104962. Pubmed.

22. Koga N; Tatsumi-Koga R; Liu G; Xiao R; Acton TB; Montelione GT; Baker D. Nature. 2012, 491: 222 – 227. Principles for designing ideal protein structures.  supplmaterial. PMC3705962. Pubmed.

23. Montelione GT. Faculty 1000 Commentary. 2012, 4: 7. The Protein Structure Initiative: achievements and visions for the future.  PMC3318194.

24. Lange OF; Rossi P; Sgourakis N; Song Y; Lee HW; Aramini JM; Ertekin A; Xiao R; Acton TB; Montelione GT; Baker D. Proc Natl Acad Sci USA. 2012, 109: 10873 – 10878. The determination of solution structures of proteins up to 40 kDa using CS- Rosetta with sparse NMR data from deuterated samples. suppl. material.  PMC3390869. Pubmed.

25. Vorobiev SM; Neely H; Yu B; Seetharaman J; Xiao R; Acton TB; Montelione GT; Hunt J. J Struct Funct Genomics. 2012, 13: 177 – 183. Crystal structure of a catalytically active GG(D/E)EF diguanylate cyclase domain from Marinobacter aquaeolei with bound c-di-GMP product.  suppl. material. PMC3683829. Pubmed.

26. Aziz A; Hess JF; Budamagunta MS; Voss JC; Kuzin AP; Huang Y.J; Xiao R; Montelione GT; Fitzgerald PG; Hunt JF. J Biol Chem. 2012, 287: 28349 – 283461. The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and x-ray crystallography.  PMC3436525. Pubmed.

27. Cho E.J; Xia S; Ma LC; Robertus J; Krug RM; Anslyn EV; Montelione GT; Ellington AD. J Biomol Screen. 2012, 17: 448 – 459. Identification of influenza virus inhibitors targeting NS1A utilizing fluorescence polarization-based high-throughput assay.  PMC in process. Pubmed.

28. Koga N; Tatsumi-Koga R; Liu G; Xiao R; Acton TB; Montelione GT; Baker D. Nature. 2012, 491: 222 – 227. Principles for designing ideal protein structures.  suppl. material. PMC3705962. Pubmed.

29. Kim D; Zheng H; Huang YJ; Montelione GT; Hunt JF. J Amer Chem Soc. 2012, 135: 2999 – 3010. ATPase active-site electrostatic interactions control the global conformation of the 100 kDa SecA translocase.  suppl. material.  PMC4134686. Pubmed.

30. Richter F; Blomberg R; Khare SD; Kiss G; Kuzin AP; Smith AJ; Gallaher JL; Pianowski Z; Helgeson RC; Grjasnow A; Xiao R; Seetharaman J; Su M; Vorobiev S; Lew S; Forouhar F; Kornhaber GJ; Hunt JF; Montelione GT; Tong L; Houk KN; Hilvert D; Baker D. J Amer Chem Soc. 2012, 135: 16197 – 16206. Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.  suppl. material.  PMC4104585. Pubmed.

31. Eletsky A; Jeong MY; Kim H; Lee HW; Xiao R; Pagliarini D.J; Prestegard JH; Winge DR; Montelione GT; Szyperski T. Biochemistry. 2012, 51: 8475 – 8477. Solution NMR structure of yeast succinate dehydrogenase flavinylation factor Sdh5 reveals a putative Sdh1 binding site.  suppl. material. PMC3667956. Pubmed.

2011

1. Vaiphei ST; Tang Y; Montelione GT; Inouye M. Molecular Biotechnology. 2011, 47: 205 – 210. The use of the condensed single protein production (cSPP) system for isotope- labeled outer membrane proteins, OmpA and OmpX in E. coli.  PMC4190416.

2. You L; Cho EJ; Leavitt J; Ma LC; Montelione GT; Anslyn EV; Krug RM; Ellington A; Robertus JD. Bioorg Med Chem Lett. 2011, 21: 3007 – 3011. Synthesis and evaluation of quinoxaline derivatives as potential NS1A protein inhibitors.  suppl. material.  PMC3114437. Pubmed.

3. Schauder C; Ma LC; Krug RM; Montelione GT; Guan R. Acta Cryst F. 2010, F66: 1567 – 1571. Structure of iSH2 domain of human phosphatidylinositol 3-kinase p85β subunit reveals conformational plasticity in the interhelical turn region.  PMC2998356. Pubmed.

4. Vorobiev SM; Huang YJ; Seetharaman J; Xiao R; Acton TB; Montelione GT; Tong L. Protein Peptide Letts. 2011, 19: 194 – 197. Human retinoblastoma binding protein 9, a serine hydrolase implicated in pancreatic cancers.  PMC3677193. Pubmed.

5. Acton TB; Xiao R; Anderson S; Aramini JM; Buchwald W; Ciccosanti C; Conover K; Everett JK; Hamilton K; Huang YJ; Janjua H; Kornhaber GJ; Lau J; Lee DY; Liu G; Maglaqui M; Ma LC; Mao L; Patel D; Rossi P; Sahdev S; Sharma S; Shastry R; Swapna GVT; Tang Y; Tong SN; Wang D; Wang H; Zhao L; Montelione GT. Methods in Enzymology. 2011, 493: 21 – 60. Preparation of protein samples for NMR structure, function, and small molecule screening studies.  PMC4110644. Pubmed.

6. Mao L; Inoue K; Tao Y; Montelione GT; McDermott AE; Inouye M. J Biomol NMR. 2011, 49: 131 – 137. Suppression of phospholipid biosynthesis by cerulenin in the condensed Single-Protein- Production (cSPP) system.  PMC3164850.

7. Ramelot TA; Smola MJ; Lee HW; Ciccosanti C; Hamilton K; Acton TB; Xiao R; Everett JK; Prestegard JH; Montelione GT; Kennedy MA. Biochemistry. 2011, 50: 1442 – 1453. Solution NMR structure of 4’-phosphopantetheine – GmACP3 from Geobacter metallireducens : a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis.  suppl. material. PMC3063093. Pubmed.

8. Yin C; Aramini JM; Ma LC; Cort JR; Swapna GVT; Krug RM; Montelione GT. J Biomol NMR Assignments. 2011 5: 215 – 219. Backbone and Ile-δ1, Leu, Val methy ¹H, ¹³C and ¹⁵N NMR chemical shift assignments for human interferon-stimulated gene 15 protein.  PMC3167004. Pubmed.

9. Karanicolas J; Corn JE; Chen I; Joachimiak LA; Dym O; Peck SH; Albeck S; Unger T; Hu W; Liu G; Delbecq S; Montelione GT; Spiegel CP; Liu DR; Baker D. Molecular Cell. 2011, 42: 250 – 260. A de novo protein binding pair by computational design and directed evolution.  suppl. material. PMC3102007. Pubmed.

10. Grant T; Luft JR; Wolfley JR; Tsuruta H; Martel A; Montelione GT; Snell E. Biopolymers. 2011, 95: 517 – 530. Small angle x-ray scattering as a complementary tool for high-throughput structural studies.  PMC3124082. Pubmed.

11. Sgourakis NG; Lange OF; DiMaio F; André I; Fitzkee NC; Rossi P; Montelione GT; Bax A; Baker D. J Amer Chem Soc. 2011, 133: 6288 – 6298. Determination of the structures of symmetric protein oligomers from NMR chemical shifts and residual dipolar couplings.  suppl. material. PMC3080108. Pubmed.

12. Barb AW; Cort JR; Seetharaman J; Lew S; Lee HW; Acton T; Xiao R; Kennedy MA; Tong L; Montelione GT; Prestegard JH. Protein Science. 2011, 20: 396 – 405. Structures of domains I and IV from YbbR are representative of a widely distributed protein family.  PMC3048424. Pubmed.

13. Chu C; Das K; Tyminski JR; Bauman JD; Guan R; Qiu W; Montelione GT; Arnold E; Shatkin AJ. Proc Natl Acad Sci USA. 2011, 108: 10104 – 10108. Structure of the guanylyltransferase domain of human mRNA capping enzyme.  suppl. material. PMC3121809. Pubmed.

14. Mao B; Guan R; Montelione GT. Structure (Cell Press). 2011, 19: 757 – 766. Improved technologies now routinely provide protein NMR structures useful for molecular replacement.  suppl. material. PMC3612016.

15. Aramini JM; Ma LC; Zhou L; Schauder CM; Hamilton K; Amer BR; Mack TR; Lee HW; Ciccosanti CT; Zhao L; Xiao R; Krug RM; Montelione GT. J Biol Chem. 2011, 286: 26050 – 26060. The dimer interface of the effector domain of non-structural protein 1 from influenza A virus: an interface with multiple functions.  suppl. material. PMC3138300. Pubmed.

16. Aramini JM; Rossi P; Fischer M; Xiao R; Acton TB; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2011, 79: 2988 – 2991. Solution NMR structure of VF0530 from Vibrio fischeri reveals a nucleic-acid binding function.  suppl. material. PMC3172673. Pubmed.

17. Guan R; Ma LC; Leonard PG; Amer BR; Sridharan H; Zhao C; Krug RM; Montelione GT. Proc Natl Acad Sci USA. 2011, 108: 13468 – 13473. Structural basis for the sequence-specific recognition of human ISG15 by the NS1 protein of influenza B virus.  suppl. material. PMC3158222. Pubmed.

18. Eletsky A; Ruyechan WT; Xiao R; Acton TB; Montelione GT; Szyperski T. J Struct Funct Genomics. 2011, 12: 159 – 166. Solution NMR structure of MED25(391-543) comprising the activator-interacting domain (ACID) of human mediator subunit 25.  suppl. material. PMC3609412. Pubmed.

19. Forouhar F; Saadat N; Hussain M; Seetharaman J; Lee I; Janjua H; Xiao R; Shastry R; Acton T; Montelione GT; Tong L. Acta Crystallographica Section F. 2011, 67: 1323 – 1327. A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.  PMC3212444. Pubmed.

20. Lowery J; Szul T; Seetharaman J; Xiaoying J; Su M; Forouhar F; Xiao R; Acton TB; Montelione GT; Lin H; Wright JW; Lee E; Holloway ZG; Randazzo PA; Tong L; Sztul E. J Biol Chem. 2011, 286: 36898 – 36906. A novel C-terminal motif within the Sec7 domain of guanine nucleotide exchange factors regulates ARF binding and activation.  suppl. material.  PMC3196086. Pubmed.

21. Yang Y; Ramelot TA; Cort JR; Wang D; Ciccosanti C; Jiang M; Acton TB; Xiao R; Everett JK; Montelione GT; Kennedy M. J Struct Funct Genomics. 2011, 12: 175 – 179. Solution NMR structure of Dsy0195 homodimer from Desulfitobacterium hafniense: First structure representative of the YapB domain family of proteins involved in spore coat assembly.  suppl. material. PMC3697068.

22. Kryshtafovych, A.; Bartual, S.G.; Bazan, J.F.; Berman, H.; Casteel, D.E.; Christodoulou, E.; Everett, J.K.; Hausmann, J.; Heidebrecht, T.; Hills, T.; Hui, R.; Hunt, J.F.; Tong, L.; Seetharaman, J.; Joachimiak, A.; Kennedy, M.; Kim, C.; Lingel, A.; Michalska,K.; Montelione, G.T.; Otero, J.M.; Perrakis, A.; Pizarro, M.J.; van Raaij, M.J.; Ramelot, T.A.; Rousseau, F.; Weraimont, A.K.; Young, J.; Schwede, T. PROTEINS: Struct Funct Bioinformatics 2011, 79: S10: 6 – 20. Target highlights in CASP9: experimental target structures for the critical assessment of techniques from protein structure prediction.  PMC369200. Pubmed.

23. Feldmann EA; Ramelot TA; Yang Y; Xiao R; Acton TB; Everett JK; Montelione GT; Kennedy MA. PROTEINS: Struct Funct Bioinformatics. 2011, 80: 671 – 675. Solution NMR structure of Asl3597 from Nostoc sp. PCC7120, the first structure from protein domain family PF12095, adopts a novel fold. suppl. material. PMC3315617. Pubmed.

2010

1. Singarapu KK; Mills J; Xiao R; Acton T; Punta M; Fischer M; Honig B; Rost B; Montelione GT; Szyperski T. PROTEINS: Struct Funct Bioinformatics. 2010, 78: 779 – 784. Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage from protein domain family PFAM 04175.  suppl. material. PMC2860719. Pubmed.

2. Mao L; Vaiphei ST; Shimazu T; Schneider WM; Tang Y; Mani R; Roth MJ; Montelione GT; Inouye M. J Struct Funct Genomics. 2010, 11: 81-84. The E. coli single protein production (cSPP) system for production and structural analysis of membrane proteins.  PMC4190415.

3. Rossi, P.; Swapna, G.V.T.; Huang, Y.J.; Aramini, J.M.; Anklin, C.; Conover, K.; Hamilton, K.; Xiao, R.; Acton, T.B.; Ertekin, A.; Everett, J.K.; Montelione, G.T. J Biomol NMR 2010, 46: 11 – 22. A microscale protein NMR sample screening pipeline.  suppl. material  PMC2797623. Pubmed.

4. Raman, S.; Huang, Y.J.; Mao, B.; Rossi, P.; Aramini, J.M.; Liu, G.; Montelione, G.T.; Baker, D. J Amer Chem Soc 2010, 132: 202 – 207. Accurate automated protein NMR structure determination using unassigned NOESY data.  suppl. material  PMC2841443. Pubmed.

5. Raman, S.; Lange, O.F.; Rossi, P.; Tyka, M.; Wang, X.; Aramini, J.; Liu, G.; Ramelot, T.; Eletsky, A.; Szyperski, T.; Kennedy, M.; Prestegard, J.; Montelione, G.T.; Baker, D. Science 2010, 327: 1014 – 1018. NMR structure determination for larger proteins using backbone-only data.  suppl. material  PMC2909653. Pubmed.

6. Liu, G.; Huang, Y.J.; Xiao, R.; Wang, D.; Acton, T.B.; Montelione, G.T. PROTEINS: Struct Funct Bioinformatics 2010, 78: 1326 – 1330. NMR structure F-actin binding domain of Arg/Ab12 from Homo sapiens.  suppl. material  PMC2821974. Pubmed.

7. Montelione, G.T.; Szyperski, T.; Curr Opin Drug Discovery 2010, 13: 335 – 349. Advances in protein NMR impacting drug discovery provided by the NIGMS Protein Structure Initiative.  PMC4002360. Pubmed.

8. Arragain, S.; Garcia-Serres, R.; Blondin, G.; Douki, T.; Clemancey, M.; Latour, J-M.; Forouhar, F.; Neely, H.; Montelione, G.T.; Hunt, J.F.; Mulliez, E.; Fontecave, M.; Atta, M. J Biol Chem 2010, 285: 5792 – 5801. Post- translational modification of ribosomal proteins: Structural and functional characterization of RimO from Thermotoga maritima, a radical S- adenosylmethionine methylthiotransferase.  suppl. material  PMC282080. Pubmed.

9. Aramini, J.M.; Tubbs, J.L.; Kanugula, S.; Rossi, P.; Ertekin, A.; Maglaqui, M.; Hamilton, K.; Ciccosanti, C.T.; Jiang, M.; Xiao, R.; Soong, T.- T.; Rost, B.; Acton, T.B.; Everett, J.K.; Pegg, A.E.; Tainer, J.A.; Montelione, G.T. J Biol Chem 2010, 285: 13736 – 13741. Structural basis of O6-alkylguanine recognition by a bacterial alkyltransferase-like DNA repair protein.  suppl. material  PMC2859536. Pubmed.

10. Arbing, M.A.; Handelman, S.K.; Kuzin, A.P.; Verdon, G.; Wang, C.; Su, M.; Rothenbacher, F.P.; Abashidze, M.; Liu, M.; Hurley, J.M.; Xiao, R.; Acton, T.; Inouye, M.; Montelione, G.T.; Woychik, N.A.; Hunt, J.F. Structure (Cell Press) 2010, 18: 996 – 1010. Crystal structures of Phd-Doc, HigA, and YeeU establish multiple evolutionary links between microbial growth-regulating toxin-antitoxin systems.  suppl. material  Open access journal. Pubmed.

11. Price, W.N. 2^nd; Handelman, S.K.; Everett, J.; Tong, S.N.; Bracic, A.; Luff, J.D.; Naumov, V.; Acton, T.; Manor, P.; Xiao, R.; Rost, B.; Montelione, G.T.; Hunt, J.F. Microbial Informatics and Experimentation 2011, 1: 6 – 26. Large-scale experimental studies show unexpected amino acid effects on protein expression and solubility in vivo in E. Coli.  suppl. material  PMC3372292. Pubmed.

12. Nie, Y.; Xiao, R.; Xu, Y.; Montelione, G.T. Org Biomol Chem 2011, 9: 4070 – 4078. Novel anti-Prelog stereospecific carbonyl reductases from Candida parapsilosis for asymmetric reduction of prochiral ketones.  suppl. material  PMC4104987. Pubmed.

13. Schneider, W.M.; Tang, Y.; Vaiphei, S.T.; Mao, L.; Maglaqui, M.; Inouye, M.; Roth, M.J.; Montelione, G.T. J Struct Funct Genomics 2010, 11: 143 – 154. Efficient condensed-phase production of perdeuterated soluble and membrane proteins.  suppl. material  PMC4119428. Pubmed.

14. Liu, G.; Huang, Y.J.; Xiao, R.; Wang, D.; Acton, T.B.; Montelione, G.T. PROTEINS: Struct Funct Bioinformatics 2010, 78: 2170 – 2175. Solution NMR structure of the ARID domain of human AT-rich interactive domain-containing protein 3A: A human cancer protein interaction network target.  suppl. material  PMC2869213. Pubmed.

15. Zhao, L.; Zhao, K.; Hurst, R.; Slater, M.; Acton, T.B., Swapna, G.V.T.; Shastry, R.; Kornhaber, G.J.; Montelione, G.T. J Struct Funct Genomics 2010, 11: 210 – 209. Engineering of a wheat germ expression system to provide compatibility with a high throughput pET-based cloning platform.  suppl. material  PMC2921493. Pubmed.

16. Lee, H-W.; Wylie, G.; Bansal, S.; Wang, X.; Barb, A.W.; Macnaughtan, M.A.; Ertekin, A.; Montelione, G.T.; Prestegard, J.H. Protein Science 2010, 19: 1673 – 1685. Three-dimensional structures of the weakly associated protein homodimer SeR13 using RDCs and paramagnetic surface mapping.  PMC2975131.

17. Stark, J.L.; Mercier, K.A.; Mueller, G.A.; Acton, T.B.; Xiao, R.; Montelione, G.T.; Powers, R. PROTEINS: Struct Funct Bioinformatics 2010, 78: 3328 – 3340. Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilis.  PMC2976784. Pubmed.

18. Tang, Y.; Xiao, R.; Ciccosanti, C.; Janjua, H.; Lee, Y.L.; Everett, J.; Swapna, G.V.T.; Acton, T.B.; Rost, B.; Montelione, G.T. PROTEINS: Struct Funct Bioinformatics 2010, 78: 2563 – 2568. Solution NMR structure of Lin0431 protein from Listeria innocua reveals high structural similarity with domain II of bacterial transcription antitermination protein NusG.  suppl. material  PMC2931792. Pubmed.

19. Xiao, R.; Anderson, S.; Aramini, J.M.; Belote, R.; Buchwald, W.; Ciccosanti, C.; Conover, K.; Everett, J.K.; Hamilton, K.; Huang, Y.J.; Janjua, H.; Jiang, M.; Kornhaber, G.J.; Lee, D.Y.; Locke, J.Y.; Ma, L.-C.; Maglaqui, M.; Mao, L.; Mitra, S.; Patel, D.; Rossi, P.; Sahdev, S.; Sharma, S.; Shastry, R.; Swapna, G.V.T.; Tong, S.N.; Wang, D.; Wang, H.; Zhao, L.; Montelione, G.T.; Acton, T.B. J Struct Biol 2010, 172: 21 – 33. The high- throughput protein sample production platform of the Northeast Structural Genomics Consortium.  PMC4110633. Pubmed.

20. Tang, Y.; Schneider, W.M.; Shen, Y.; Raman, S.; Inouye, M.; Baker, D.; Roth, M.J.; Montelione, G.T. J Struct Funct Genomics 2010, 11: 223 – 232. Fully automated high quality NMR structure determination of small ²H- enriched proteins.  PMC2970817.

21. Yang, Y.; Ramelot, T.A.; Cort, J.R.; Wang, D.; Ciccosanti, C.; Hamilton, K.; Nair, R.; Rost, B.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Kennedy, M. PROTEINS: Struct Funct Bioinformatics 2011, 79: 340 – 344. Solution NMR structure of photosystem II reaction center protein Psb28 from Synechocystis sp. strain PCC 6803.  suppl. material 1  suppl. material 2  suppl. material 3  PMC3248274. Pubmed.

22. Yang, Y.; Ramelot, T.A.; McCarrick, R.; Ni, S.; Feldmann, E.; Cort, J.R.; Wang, D.; Ciccosanti, C.; Jiang, M.; Janjua, H.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Kennedy, M. J Amer Chem Soc 2010, 132: 11910 – 11913. Combining NMR and EPR methods for homo-dimer protein structure determination. suppl. material. suppl. material. PMC3057626. Pubmed.

23. Love, J.; Mancia, F.; Shapiro, L.; Punta, M.; Rost, B.; Girvin, M.; Wang, D.-N.; Zhou, M.; Hunt, J.F.; Szyperski, T.; Gouaux, E.; MacKinnon, R.; McDermott, A.; Honig, B.; Inouye, M.; Montelione, G.T.; Hendrickson, W.A. J Struct Funct Genomics 2010, 11: 191 – 199. The New York Consortium on Membrane Structure (NYCOMPS): A high-throughput platform for structural genomics of integral membrane proteins.  PMC3099345. Pubmed.

24. Mani, R.; Vorobiev, S.; Swapna, G.V.T.; Neely, H.; Janjua, H.; Ciccosanti, C.; Xiao, R.; Acton, T.B.; Everett, J.K.; Hunt, J.F.; Montelione, G.T. J Struct Funct Genomics 2011, 12: 27 – 32. Solution NMR and X-ray crystal structures of membrane-associated lipoprotein-17 domain reveal a novel fold.  suppl. material  PMC3636556

25. Zhang, H.; Constantine, R.; Vorobiev, S.; Chen, Y. ;Seetharaman, J.; Huang, Y.J.; Xiao, R.; Montelione, G.T.; Gerstner, C.D.; Davis, M.W.; Inana, G.; Whitby, F.G.; Jorgensen, E.M.; Hill, C.P.; Tong, L.; Baehr, W. Nature Neuroscience2011, 14: 874 – 880. UNC119 is required for G protein trafficking in sensory neurons.  suppl. material  PMC3178889. Pubmed.

26. Aramini, J.M.; Rossi, P.; Cort, J.; Ma, L.-C.; Xiao, R.; Acton, T.B.; Montelione, G.T. PROTEINS: Struct Funct Bioinformatics 2011, 79: 335 – 339. Solution NMR structure of the plasmid-encoded fimbriae regulatory protein PefI from Salmonella enterica serovar Typhimurium.  suppl. material  PMC2995844.

27. Forouhar, F.; Lew, S.; Seetharaman, J.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Tong, L. Acta Cryst F 2010, F66: 1562 – 1566. Crystal structures of bacterial biosynthetic arginine decarboxylases.  PMC2998355. Pubmed.

28. Montelione, G.T.; Szyperski, T. Advances in BioNMR Spectroscopy 2010, IOS Press, Editors A.J. Dingley and S.M. Pascal. Advances in NMR-based structural genomics spectroscopy.

2009

1. Vorobiev, S.M.; Su, M.; Seetharaman, J.; Huang, Y.J.; Chen, X.C.; Cunningham, K.; Maglaqui, M.; Owens, L.; Proudfoot, M.; Yakunin, A.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Tong, L. PROTEINS: Struct Funct Bioinformatics 2009, 74: 526 – 529. Crystal structure of human retinoblastoma binding protein 9 (RBBP9).  PMC2684859.

2. Cort, J.R.; Ramelot, T.A.; Murray, D.; Acton, T.B.; Ma, L-C.; Xiao, R.; Montelione, G.T.; Kennedy, M.A. PROTEINS: Struct Funct Bioinformatics 2008, 9: 7 – 20. Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5- related N -acetyltransferase-like proteins. 

3. Ramelot, T.A.; Raman, S.; Kuzin, A.P.; Xiao, R.; Ma, L.-C.; Acton, T.B.; Hunt, J.F.; Montelione, G.T.; Baker, D.; Kennedy, M.A. PROTEINS: Struct Funct Bioinformatics 2008, 75: 147 – 167. Improving NMR protein structure quality by Rosetta refinement: A molecular replacement study.  suppl. material  PMC2878636. Pubmed.

4. Rossi, P.; Aramini, J.M.; Xiao, R.; Chen, C.X.; Nwosu, C.; Owens, L.A.; Maglaqui, M.; Nair, R.; Fischer, M.; Acton, T.B.; Honig, B.; Rost, B.; Montelione, G.T. PROTEINS: Struct Funct Bioinformatics 2009, 74: 515 – 519. Structural elucidation of the Cys-His-Glu-Asn proteoytic relay in the secreted CHAP domain enzyme from the human pathogen Staphylococcus saprophyticus.  suppl. material  PMC2735724. Pubmed.

5. Parish D; Benach J; Liu G; Singarapu KK; Xiao R; Acton T; Su M; Bansal S; Prestegard JH; Hunt J; Montelione GT; Szyperski T. J Struct Funct Genomics. 2008, 9: 41 – 49. Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.  PMC2850599.

6. Price WN. 2^nd; Chen Y; Handelman SK; Neely H; Manor P; Karlin R; Nair R; Liu R; Baran M; Everett J; Tong SN; Forouhar F; Swaminathan SS; Acton T; Xiao R; Luft JR; Lauricella A; DeTitta GT; Rost B; Montelione GT; Hunt JF. Nature Biotechnology. 2009, 27: 51 – 57. Understanding the physical properties that control protein crystallization by analysis of large-scale experimental data.  suppl. material. PMC2746436. Pubmed.

7. Liu G; Forouhar F; Eletsky A; Atreya HS; Aramini JM; Xiao R; Huang YJ; Abashidze M; Seetharaman J; Liu J; Rost B; Acton T.; Montelione GT; Hunt JF; SzyperskiT. J Struct Funct Genomics. 2009, 10: 127 – 136. NMR and X-ray structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquitination pathway.  PMC2850604. Pubmed.

8. Bertonati C; Punta M; Fischer M; Yachdav G; Forouhar F; Zhou W; Kuzin AP; Seetharaman J; Abashidze M; Ramelot TA; Kennedy MA. PROTEINS: Struct Funct Bioinformatics. 2009, 75: 760 – 773. Structural genomics reveals EVE as a new ASCH/PUA-related domain. suppl. material. PMC4080787.

9. Nair R; Liu J; Soong TT; Acton TB; Everett J; Kouranov A; Fiser A; Godzik A; Jaroszewski L; Orengo C; Montelione GT; Rost B. J Struct Funct Genomics. 2009, 10: 181 – 191. Structural genomics is the largest contributor of novel structural leverage.  PMC2705706. Pubmed.

10. Schwede T; Sali A; Honig B; Levitt M; Berman HM; Jones D; Brenner SE; Burley SK; Das R; Dokholyan NV; Dunbrack RL; Fidelis K; Fiser A; Godzik A; Huang YJ; Humblet C; Jacobson MP; Joachimiak A; Krystek SR Jr; Kortemme T; Kryshtafovych A; Montelione GT; Moult J; Murray D; Sanchez R; Sosnick TR; Standley DM; Stouch T; Vajda S; Vasquez M; Westbrook JD; Wilson IA. Structure (Cell Press). 2009, 17: 151 – 159. Outcome of workshop on applications of protein models in biomedical research.  PMC2739730. Pubmed.

11. Montelione GT; Arrowsmith CA; Girvin M; Kennedy MA; Markley JL; Powers R; Prestegard JH; Szyperski T. J Struct Funct Genomics. 2009, 10: 101-106. Unique opportunities for NMR methods in structural genomics. PMC2705713. Pubmed.

12. Sharma S; Zheng H; Huang YJ; Ertekin A; Hamuro Y; Rossi P; Tejero R; Acton T; Xiao R; Jiang M; Zhao L; Ma LC; Swapna GVT; Aramini JM; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2009, 76: 882 – 894. Construct optimization for protein NMR structure analysis using amide hydrogen/deuterium exchange mass spectrometry.  suppl. material. PMC2739808.

13. Mao L; Tang Y; Vaiphei T; Shimazu T; Kim SG; Mani R; Fakhoury E; White E; Montelione GT; Inouye M. J Struct Funct Genomics. 2009, 10: 281 – 289. Production of membrane proteins for NMR studies using the condensed single protein (cSPP) production system.  suppl. material 1. suppl. material 2.  PMC2923930. Pubmed.

14. Eletsky A; Sukumaran DK; Xiao R; Acton T; Rost B; Montelione GT; Szyperski T. PROTEINS: Struct Funct Bioinformatics. 2009, 76: 1037 – 1041. NMR structure of protein YvyC from Bacillus subtilis reveals unexpected structural similarity between two PFAM families.  suppl. material. PMC2735722. Pubmed.

15. Schneider WM; Inouye M; Montelione GT; Roth MJ. J Struct Funct Genomics. 2009, 10: 219 – 225. Independently inducible system of gene expression for condensed single protein production (cSPP) suitable for high efficiency isotope enrichment.  PMC4898478.

16. Rosato A; Bagaria A; Baker D; Bardiaux B; Cavalli A; Doreleijers JF; Giachetti A; Guerry P; Güntert P; Herrmann T; Huang YJ; Jonker HRA; Mao B; Malliavin TE; Montelione GT; Nilges M; Raman S; van der Schot G; Vranken WF; Vuister GW; Bonvin AMJJ. Nature Methods. 2009, 6: 625 – 626. CASD-NMR: Critical assessment of automated structure determination by NMR.  PMC2841015. Pubmed.

17. Mercier KA; Mueller GA; Acton TB; Xiao R; Montelione GT; Powers R. J Biomol NMR Assignments. 2009, 3: 191 – 194. ¹H, ¹³C, and ¹⁵N NMR assignments for the Bacillus subtilis yndB START domain.  PMC4991356.

2008

1. Burley SK; Joachimiak A; Montelione GT; Wilson IA. Structure (Cell Press). 2008, 16: 5 – 11. Contributions to the NIH-NIGMS Protein Structure Initiative from the PSI production centers.  PMC2678832. Pubmed.

2. Singarapu KK; Xiao R; Sukumaran DK; Acton T; Montelione GT; Szyperski T. PROTEINS: Struct Funct Bioinformatics. 2008, 70: 1650 – 1654. NMR structure of protein Cgl2762 from Corynebacterium glutamicum implicated in DNA transposition reveals a helix-turn-helix motif attached to a flexibly disordered leucine zipper.  suppl. material. Pubmed.

3. Gräslund S; Nordlund P; Weigelt J; Bray J; Gileadi O; Knapp S; Oppermann U; Arrowsmith C; Hui R; Ming J; Park HW; Savchenko A; Yee A; Edwards A; Vincentelli R; Cambillau C; Kim R; Kim SH; Rao Z; Shi Y; Terwilliger TC; Kim CY; Hung LW; Waldo GS; Peleg Y; Albeck S; Unger T; Dym O; Prilusky J; Sussman JL; Stevens RC; Lesley SA; Wilson IA; Joachimiak A; Collart F; Dementieva I; Donnelly MI; Eschenfeldt WH; Kim Y; Stols L; Wu R; Zhou M; Burley SK; Emtage JS; Sauder JM; Thompson D; Bain K; Luz J; Gheyi T; Zhang F; Atwell S; Almo SC; Bonanno JB; Fiser A.; Swaminathan S; Studier FW; Chance MR; Sali A; Acton TB; Xiao R; Zhao L; Ma LC; Hunt JF; Tong L; Cunningham K; Inouye M; Anderson S; Janjua H; Shastry R; Ho C.K.; Wang, H; Jiang M; Montelione GT; Stuart DI; Owens RJ; Daenke S; Schütz A; Heinemann U; Yokoyama S; Büssow K; Gunsalus KC. Nature Methods. 2008, 5: 135 – 146. Protein production and purification.  PMC3178102. Pubmed.

4. Singarapu KK; Xiao R; Acton T; Rost B; Montelione GT; Szyperski T. PROTEINS: Struct Funct Bioinformatics. 2008, 71: 1027 – 1031. NMR structure of the peptidyl-tRNA hydrolase domain from Pseudomonas syringae expands the structural coverage of the hydrolysis domains of class 1 peptide chain release factors. Pubmed.

5. Aramini JM; Sharma S; Huang YJ; Swapna GVT; Ho CK; Shetty K; Cunningham K; Ma LC; Zhao L; Owens LA; Jiang M; Xiao R; Liu J; Baran MC; Acton TB; Rost B; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2008, 72: 526 – 530. Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis.  suppl. material. Pubmed.

6. Forouhar F; Abashidze M; Xu H; Grochowski LL; Seetharaman J; Hussain M; Kuzin A; Chen Y; Zhou W; Xiao R; Acton TB; Montelione GT; Galinier A; White RH; Tong L. J Biol Chem. 2008, 17: 11832 – 11840. Molecular insights into the biosythesis of the F₄₂₀ coenzyme.  PMC2431047. Pubmed.

7. ShenY; Lange O; Delaglio F; Rossi P; Aramini JM; Liu G; Eletsky A; Wu Y; Singarapu KK; Lemak A; Ignatchenko A; Arrowsmith CH; Szyperski T; Montelione GT; Baker D; Bax A. Proc Natl Acad Sci USA. 2008, 105: 4685 – 4690. Consistent blind protein structure generation from NMR chemical shift data.  suppl. material. PMC2290745. Pubmed.

8. Huang YJ; Hang D; Lu LJ; Tong L; Gerstein MB; Montelione GT. Mol. Cell. Proteomics. 2008, 7: 2048 – 2060. Targeting the human cancer pathway protein interaction network by structural genomics.  PMC2559933. Pubmed.

9. Wu B; Yee A; Huang YJ; Ramelot TA; Cort JR; Semesi A; Jung JW; Lee W; Montelione GT; Kennedy MA; Arrowsmith CH. Protein Science. 2008, 17: 583 – 588. The solution structure of ribosomal protein S17E from Methanobacterium thermoautotrophicum: A structural homolog of the FF domain.  PMC2248302.

10. Das K; Ma LC; Xiao R; Radvansky B; Aramini J; Zhao L; Marklund J; Kuo RL; Twu KY; Arnold E; Krug RM; Montelione GT. Proc Natl Acad Sci USA. 2008, 105: 13092 – 13097. Structural basis for suppression by influenza A virus of a host antiviral response.  suppl. material. PMC2522260. Pubmed.

11. Aramini JM; Rossi P; Huang YJ; Zhao L; Jiang M; Maglaqui M; Xiao R; Locke J; Nair R; Rost B; Acton TB; Inouye M; Montelione GT. Biochemistry (Rapid Report). 2008, 47: 9715 – 9717. Solution NMR structure of the NIpC/P60 domain of lipoprotein Spr from Escherichia coli: Structural evidence for a novel cysteine peptidase catalytic triad.  suppl. material. Pubmed.

12. Vila J; Aramini J; Rossi P; Kuzin A; Su M; Seetharaman J; Xiao R; Tong L; Montelione GT; Scheraga H. Proc Natl Acad Sci USA. 2008, 105: 14389 – 14394. Quantum chemical ¹³C^α chemical shift calculations for protein NMR structure determination, refinement, and validation.  suppl. material. PMC2567219.

13. Vorobiev SM; Su M; Seetharaman J; Huang YJ; Chen XC; Cunningham K; Maglaqui M; Owens L; Proudfoot M; Yakunin A; Xiao R; Acton TB; Montelione GT; Tong L. PROTEINS: Struct Funct Bioinformatics. 2009, 74: 526 – 529. Crystal structure of human retinoblastoma binding protein 9 (RBBP9).  PMC2684859.

14. Cort JR; Ramelot TA; Murray D; Acton TB; Ma LC; Xiao R; Montelione GT; Kennedy MA. PROTEINS: Struct Funct Bioinformatics. 2008, 9: 7 – 20. Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5- related N -acetyltransferase-like proteins. 

15. Ramelot TA; Raman S; Kuzin AP; Xiao R; Ma LC; Acton TB; Hunt JF; Montelione GT; Baker D; Kennedy MA. PROTEINS: Struct Funct Bioinformatics. 2008, 75: 147 – 167. Improving NMR protein structure quality by Rosetta refinement: A molecular replacement study.  suppl. material. PMC2878636. Pubmed.

16. Rossi P; Aramini JM; Xiao R; Chen CX; Nwosu C; Owens LA; Maglaqui M; Nair R; Fischer M; Acton TB; Honig B; Rost B; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2009, 74: 515 – 519. Structural elucidation of the Cys-His-Glu-Asn proteoytic relay in the secreted CHAP domain enzyme from the human pathogen Staphylococcus saprophyticus.  suppl. material. PMC2735724. Pubmed.

17. Parish D; Benach J; Liu G; Singarapu KK; Xiao R; Acton T; Su M; Bansal S; Prestegard JH; Hunt J; Montelione GT; Szyperski T. J Struct Funct.Genomics. 2008, 9: 41 – 49. Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.  PMC2850599.

2007

1. Mercier KA; Baran M; Ramanathan V; Revesz P; Xiao R; Montelione GT; Powers R. J Amer Chem Soc. 2006, 128: 15292 – 15299. FAST-NMR – Functional Annotation Screening Technology using NMR spectroscopy.  PMC2529462. Pubmed.

2. Bhattacharya A; Tejero R; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2007, 66: 778 – 795. Evaluating protein structures determined by structural genomics consortia.  Pubmed.

3. Forouhar F; Anderson JL; Mowat CG; Vorobiev SM; Hussain A; Abashidze M; Bruckmann C; Thackray SJ; Seetharaman J; Tucker T; Xiao R; Ma L; Zhao L; Acton TB; Montelione GT; Chapman SK; Tong L. Proc Natl Acad Sci USA. 2007, 104: 473 – 478. Molecular insights into substrate recognition and catalysis by tryptophan 2,3- dioxygenase.  suppl. material. Pubmed.

4. Vorobiev SM; Neely H; Seetharaman J; Ma L; Xiao R; Acton TB; Montelione GT; Tong L. Protein Science. 2007, 16: 535 – 538. Crystal structure of AGR_C_4470p from Agrobacterium tumefaciens.  PMC2203313. Pubmed.

5. Singarapu KK; Liu G; Xiao R; Bertonati C; Honig B; Montelione GT; Szyperski T. PROTEINS: Struct Funct Bioinformatics. 2007, 67: 501 – 504. NMR structure of protein yjbR from Escherichia coli reveals ‘double-wing’ DNA binding motif. Pubmed.

6. Aramini J; Rossi P; Anklin C; Xiao R; Montelione GT. Nature Methods. 2007, 4: 491 – 493. Microgram scale protein structure determination by NMR.  suppl. material. Pubmed.

7. Yin C; Khan JA; Swapna GVT; Ertekin A; Krug RM; Tong L; Montelione GT. J Biol Chem. 2007, 282: 20584 – 20592. Conserved surface features form the double-stranded RNA-binding site of non-structural protein 1 (NS1) from Influenza A and B viruses.  suppl. material. Pubmed.

8. Aramini J; Y. Huang YJ; Swapna GVT; Cort JR; Rajan PK; Xiao R; Shastry R; Acton TB; Liu J; Rost B; Kennedy MA; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2007, 68: 789 – 795. The solution NMR structure of Escherichia coli ytfP expands the structural coverage of the UPF0131 protein domain family.  suppl. material. Pubmed.

9. Liu J; Montelione GT; Rost B. Nature Biotechology. 2007, 25: 849 – 851. Novel leverage of structural genomics.  suppl. material. Pubmed.

10. Andrec M; Snyder D A; Zhou Z; Young J; Montelione GT; Levy R. PROTEINS: Struct Funct Bioinformatics. 2007, 69: 449 – 465. A large data set comparison of protein structures determined by crystallography and NMR: Statistical test for structural differences and the effect of crystal packing.  suppl. material. Pubmed.

11. Lu LJ; Sboner A; Huang Y J; Lu H.X.; Gianoulis T.A.; Yip KY; Kim PM; Montelione GT; Gerstein MB. TIBS. 2007, 32: 320 – 331. Comparing classical pathways and modern networks: Towards the development of an edge ontology.  suppl. material. Pubmed.

12. Bhattacharya A; Wunderlich Z; Monleon D; Tejero R; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2007, 70: 105 – 118. Assessing model accuracy using the homology modeling automatically (HOMA) software.  suppl. material. Pubmed.

13. Forouhar F; Kuzin A; Seetharaman J; Lee I; Zhou W; Abashidze M; Chen Y; Yong W; Janjua H; Fang Y; Wang D; Cunningham K; Xiao R; Acton TB; Pichersky E; Klessig DF; Porter CW; Montelione GT; Tong L. J Struct Funct Genomics. 2007, 8: 37 – 44. Functional insights from structural genomics.  Pubmed.

14. Benach J; Wang L; Chen Y; Ho CK; Lee S; Seetharaman J; Xiao R; Acton TB; Montelione GT; Deng H; Sun R; Tong L. J Biol Chem. 2007, 43: 31534 – 31541. Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus-68.  Pubmed.

2006

1. Liu G; Shen Y; Xiao R; Acton T; Ma L; Joachimiak A; Montelione GT; Szyperski T. PROTEINS: Struct Funct Bioinformatics. 2006, 62: 288 – 291. NMR structure of protein yqbG from Bacillus subtilis reveals a novel α-helical protein fold. Pubmed.

2. Baran M; Moseley HNB; Aramini JM; Bayro MJ; Monleon D; Locke J; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2006, 62: 843 – 851. SPINS: A laboratory information management system for organizing and archiving intermediate and final results from NMR protein structure determinations.  suppl. material. Pubmed.

3. Forouhar F; Hussain M; Farid R; Benach J; Abashidze M; Edstrom WC; Vorobiev SM; Xiao R; Acton TB; Fu Z; Kim J; Miziorko HM; Montelione GT; Hunt JF. J Biol Chem. 2006, 281: 7533 – 45. Crystal structures of two bacterial 3-hydroxy- 3methylglutaryl-CoA lyases suggest a common catalytic mechanism among a family of TIM-barrel metalloenzymes cleaving carbon-carbon bonds. Pubmed.

4. Kornhaber GJ; Snyder D; Moseley HNB; Montelione GT. J Biomol NMR. 2006, 34: 259 – 269. Identification of zinc-ligated cysteine residues based on ¹³Cα and ¹³Cβ chemical shift data.  Pubmed.

5. Berman HM; Burley SK; Chiu W; Sali A; Adzhubei A; Bourne PE; Bryant SH; Dunbrack Jr, RL; Fidelis, K.; Frank, J.; Godzik, A.; Henrick, K.; Joachimiak, A.; Heymann, B.; Jones, D.; Markley, J.L.; Moult, J.; Montelione, G.T.; Orengo, C.; Rossman, M.T.; Rost, B.; Saibil, H.; Schwede, T.; Standley, D.M.; Westbrook, J.D. Structure (Cell Press) 2006, 14: 1211 – 1217. Outcome of a workshop on archiving structural models of biological macromolecules.  Pubmed.

6. Greenfield NJ; Huang YJ; Swapna GVT; Bhattacharya A; Rapp B; Singh A; Montelione GT; Hitchcock-DeGregori SE. J Mol Biol. 2006, 364: 80 – 96. Solution NMR structure of the junction between tropomyosin molecules: Implications for actin binding and regulation.  suppl. material. Pubmed.

7. Mercier KA; Baran M; Ramanathan V; Revesz P; Xiao R; Montelione GT; Powers R. J Amer Chem Soc. 2006, 128: 15292 – 15299. FAST-NMR – Functional Annotation Screening Technology using NMR spectroscopy.  PMC2529462. Pubmed.

2005

1. Huang YJ; Moseley HNB; Baran MC; Arrowsmith C; Powers R; Tejero R; Szyperski T; Montelione GT. Methods in Enzymology. 2005, 394: 111 – 141. An integrated platform for automated analysis of protein NMR structures. Pubmed.

2. Acton TB; Gunsalus KC; Xiao R; Ma LC; Aramini JM; Baran MC; Chiang YW; Climent T; Cooper B; Denissova N; Douglas SM; Everett JK; Ho CK; Macapagal D; Rajan PK; Shastry R; Shih LY; Swapna GVT; Wilson M; Wu M; Gerstein M; Inouye M; Hunt JF; Montelione GT. Methods in Enzymology. 2005, 394: 210 – 243. Robotic cloning and protein production platform of the Northeast Structural Genomics Consortium.  Pubmed.

3. Shen Y; Goldsmith-Fischman S; Atreya HS; Acton TB; Ma LC; Xiao R; Honig B; Montelione GT; Szyperski T.  PROTEINS: Struct. Funct. Bioinformatics. 2005, 58: 747 – 750.  NMR structure of the 18 kDa protein CC1736 from Caulobacter crescentus identifies a member of the “START” domain superfamily and suggests residues mediating substrate specificity. 

4. Snyder DA; Montelione GT.  PROTEINS: Struct Funct Bioinformatics. 2005, 59: 673 – 686.  Clustering algorithms for identifying core atom sets and for assessing the precision of protein structure ensembles. Pubmed.

5. Huang YJ; Powers R; Montelione GT. J. Amer Chem Soc. 2005, 127: 1665 – 1674. Protein NMR Recall, Precision, and F-measure scores (RPF Scores): Structure quality assessment measures based on information retrieval statistics.  suppl. material. Pubmed.

6. Liu G; Li Z; Chiang Y; Acton TB; Montelione GT; Murray D; Szyperski T.  Protein Science. 2005, 14:1597 – 1608. High-quality homology derived from NMR and X-ray structures of E. coli. proteins YgdK and SufE suggest that all members of the YgdK/SufE protein family are enhancers of cysteine desulfurases.  PMC2253389. Pubmed.

7. Forouhar F; Yang Y; Kumar D; Chen Y; Fridman E; Park SW; Chiang Y; Acton TB; Montelione GT; Pichersky E; Klessig DF; Tong L. Proc Natl Acad Sci USA. 2005, 102: 1773 – 1778. Structure and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity.  suppl. material. PMC547883. Pubmed.

8. Liu G; Shen Y; Atreya HS; Parish D; Shao Y; Sukumaran DK; Xiao R; Yee A; Lemak A; Bhattacharya A; Acton TB; Arrowsmith CH; Montelione GT; Szyperski T.  Proc Natl Acad Sci USA. 2005, 102: 10487 – 10492.  NMR data collection and analysis protocol for high-throughput protein structure determination. suppl. material. PMC1180791. Pubmed.

9. Douglas SM; Montelione GT; Gerstein M.  Genome Biology. 2005, 6:R80.  PubNet: A flexible system for visualizing literature-derived networks.  PMC1242215. Pubmed.

10. Huang YJ; Tejero R; Powers R; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2006, 62: 587 – 603. A topology- constrained distance network algorithm for protein structure determination from NOESY data. suppl. material. Pubmed. 

11. Snyder DA; Bhattacharya A; Huang YJ.; Montelione GT. PROTEINS: Struct Funct Bioinformatics. 2005, 59: 655 – 661. Assessing precision and accuracy of protein structures derived from NMR data.  suppl. material. Pubmed.

12. Snyder DA; Chen Y; Denissova NG; Acton T; Aramini JM; Ciano M; Karlin R; Liu J; Manor P; Rajan PA; Rossi P; Swapna GVT; Xiao R; Rost B; Hunt J; Montelione GT. J Amer Chem Soc. 2005, 127: 16505 – 16511. Comparisons of NMR spectral quality and success in crystallization demonstrate that NMR and x-ray crystallography are complementary methods for small protein structure determination.  suppl. material. Pubmed.

13. Benach J; Edstrom WC; Lee I; Das K; Cooper B; Xiao R; Liu J; Rost B; Acton TB; Montelione GT; Hunt JF. Acta Cryst D: Biol Cryst. 2005, D61: 589 – 598. The 2.35 Å structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism. Pubmed.

14. Rossi P; Ramelot T; Xiao R; Ho CK; Ma L; Acton TB; Kennedy MA; Montelione GT. J Biomol NMR. 2005, 33: 197. ¹H, ¹³C, ¹⁵N resonance assignments for the protein coded by gene locus BB0938 of Bordetella bronchiseptica.

15. Aramini JM; Swapna GVT; Huang YJ; Rajan PK; Xiao R; Shastry R; Acton TB; Cort JR; Kennedy MA; Montelione GT. J Biomol NMR. 2005, 33: 197. 1H, 13C, 15N resonance assignments for Escherichia coli ytfP, a member of the broadly conserved UPF0131 protein domain family. Pubmed.

16. Liu G; Aramini J; Atreya HS; Eletsky A; Xiao R; Acton TB; Ma LC; Montelione GT; Szyperski T. J Biomol NMR. 2005, 32: 261. Letter to the Editor: GFT NMR based resonance assignment for the 21 kDa human protein UFC1.  suppl. material. Pubmed.

17. Forouhar F; Lee IS; Vujcic J; Vujcic S; Shen J; Vorobiev SM; Xiao R; Acton TB; Montelione GT; Porter CW; Tong L. J Biol Chem. 2005, 280: 40328 – 40336. Structural and functional evidence for Bacillus subtilis PaiA as a novel N¹-spermidine/spermine acetyltransferase (SSAT). Pubmed.

18. Bachhawat P; Swapna GVT; Montelione GT; Stock AM. Structure (Cell Press). 2005, 13: 1353 – 1363. Mechanism of activation for transcription factor PhoB suggested by different modes of dimerization in the inactive and active states. PMC3685586. Pubmed.

19. Powers R; Mirkovic N; Goldsmith-Fischman S; Acton TB; Chiang Y; Huang YJ; Ma L; Rajan RK; Cort JR; Kennedy MA; Liu J; Rost B; Honig B; Murray D; Montelione GT. Protein Science. 2005, 14: 2849 – 2861. Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria and eukaryotes. PMC2253226. Pubmed.

20. Huang YJ; Montelione GT. Nature. 2005, 438: 36 – 37. News and Views: Proteins flex to function. Pubmed.

2004

1. Monleon D; Chiang Y; Aramini JM; Swapna GVT; Macapagal D; Gunsalus KC; Kim S; Szyperski T; Montelione GT.  J. Biomol. NMR. 2004, 28: 91 – 92.  Backbone ¹H, ¹⁵N and ¹³C assignments for the 21 kDa Caenorhabditis elegans homologue of ‘brain-specific’ protein. Pubmed.

2. Zheng D; Aramini J; Montelione GT.  Protein Science. 2004, 13: 549 – 554.  Validation of helical tilt angles in the solution NMR structure of the Z domain of Staphylococcal protein A by combined analysis of residual dipolar coupling and NOE data.  PMC2286702.

3. Goh CS; Lan N; Douglas SM; Wu B; Echols N; Smith A; Milburn D; Montelione GT; Zhao H; Gerstein M.  J. Mol. Biol. 2004, 336: 115 – 130.  Mining the structural genomics pipeline: Identification and analysis of protein properties that affect high-throughput experimental analysis. Pubmed.

4. Chien CY; Xu Y; Xiao R; Aramini JM; Sahasrabudhe PV; Krug RM; Montelione GT.  Biochemistry. 2004, 43: 1950 – 1962.  Biophysical characterization of the complex between double-stranded RNA and the N-terminal domain of the NS1 protein from Influenza A virus: Evidence for a novel RNA-binding mode. Pubmed.

5. Moseley HNB; Sahota G; Montelione GT.  J. Biomol. NMR. 2004, 28: 341 – 355.  Assignment validation software suite for the evaluation and presentation of protein resonance assignment data.  Pubmed.

6. Das K; Acton TB; Chiang Y; Shih L; Arnold E; Montelione GT. Proc. Natl. Acad. Sci. U.S.A.  2004, 101: 4041 – 4046.  Crystal structure of E. coli RlmA^I: Implications for understanding 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site.  PMC384692. Pubmed.

7. Liu G; Sukumaran DK; Xu D; Chiang Y; Acton TB; Goldsmith- Fischman, S; Honig B; Montelione GT; Szyperski T.  PROTEINS: Struct. Funct. Genetics. 2004, 55: 756 – 758.  NMR structure of the hypothetical protein NMA1147  from Neisseria meningitidis reveals a distinct 5-helix bundle. Pubmed.

8. Herve Du Penhoat C; Atreya HS; Shen Y; Liu G; Acton TB; Xiao R; Li Z; Murray D; Montelione GT; Szyperski T. Protein Sci. 2004, 13: 1407 – 1416.  The NMR solution structure of the 30S ribosomal protein S27e encoded in gene RS27_ARCFU of Archaeoglobus fulgidis reveals a novel protein fold.  PMC2286747.

9. Xu D; Liu G; Xiao R; Acton T; Goldsmith-Fischman S; Honig B; Montelione GT; Szyperski T.  PROTEINS: Struct. Funct. Genetics. 2004, 54: 794 – 796.  NMR structure of the hypothetical protein AQ- 1857 encoded by the Y157 gene from Aquifex aeolicus reveals a novel protein fold. Pubmed.

10. Forouhar F; Lee IS; Benach J; Kulkarni K; Xiao R; Acton TB; Montelione GT; Tong L.  J. Biol. Chem. 2004, 279: 13148 – 13155.  A novel NAD binding protein revealed by the crystal structure of E. coli 2,3-diketogulonate reductase (YiaK). Pubmed.

11. Makokha M; Huang YJ; Montelione GT; Edison AS; Barbar E. Protein Science   2004 13: 727 – 734.  The solution structure of the pH-induced monomer of dynein light-chain LC8 from Drosophila.  PMC2286742. Pubmed.

12. Everett JK; Acton TB; Montelione G.T.  J. Struct. Funct. Genomics. 2004, 5: 13 – 21.  Primer Prim’ər: A web based server for automated primer design. Pubmed.

13. Adams M; Joachimiak A; Kim R; Montelione GT; Norvell J. J. Struct. Funct. Genomics. 2004, 5: 1 – 2.  2003 NIH protein structure initiative workshop in protein production and crystallization for structural and functional genomics (Meeting Review). Pubmed.

14. Wunderlich Z; Acton TB; Liu J; Kornhaber G; Everett J; Carter P; Lan N; Echols N; Gerstein M; Rost B; Montelione GT.  PROTEINS: Struct. Funct. Bioinformatics.  2004, 56: 181 – 187.  The protein target list of the Northeast Structural Genomics Consortium. Pubmed.

15. Shen Y; Atreya HS; Xiao R; Acton TB; Shastry R; Ma L; Montelione GT; Szyperski T.  J. Biomol. NMR. 2004, 29: 549 – 550.  Resonance assignments for the 18kDa protein CC1736 from Caulobacter crescentus. 

16. Liu J; Hegyi H; Acton TB; Montelione GT; Rost B.  PROTEINS: Struct. Funct. Bioinformatics. 2004, 56: 188 – 200.  Automatic target selection for structural genomics on eukaryotes. 

17. Qing G; Ma LC; Khorchid A; Swapna GVT; Mal TK; Takayama MM; Xia B; Phadtare S; Ke H; Acton T; Montelione GT.; Ikura M.; Inouye M.   Nature Biotechnology. 2004, 22: 877 – 882. Cold-shock induced high-yield protein production in Escherichia coli.  suppl. material. Pubmed.

18. Baran MC; Huang YJ; Moseley HN; Montelione GT.  Chemical Reviews. 2004, 104: 3451 – 3556.  Automated analysis of protein NMR assignments and structures. Pubmed.

19. Moseley HNB; Riaz N; Aramini JM; Szyperski T; Montelione GT.  J. Magn. Reson. 2004, 170: 263-277.  A generalized approach to automated NMR peak list editing: application to reduced dimensionality triple resonance spectra. Pubmed.

20. Powers R; Acton TB; Chiang Y; Rajan PK; Cort JR; Kennedy MA; Liu J; Ma LC; Rost B; Montelione GT.  J. Biomol. NMR. 2004, 30: 107-108.  ¹H, ¹³C, and ¹⁵N assignments for the Archaeglobus fulgidis protein AF2095. Pubmed.

21. Ramelot TA; Cort JR; Goldsmith-Fischman S; Kornhaber GJ; Xiao R; Shastry R; Acton TB; Honig B; Montelione GT; Kennedy MA.  J. Mol. Biol. 2004, 344: 567-583.  Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site. Pubmed.

22. Goldsmith-Fischman S; Kuzin A; Edstrom WC; Benach J; Shastry R; Xiao R; Acton TB; Honig B; Montelione GT; Hunt JF. J. Mol. Biol. 2004, 344: 549 – 565.  The SufE sulfur-acceptor protein contains a conserved core structure that mediates interdomain interactions in a variety of redox protein complexes. Pubmed.

2003

1. Lan N; Montelione GT; Gerstein M. Curr. Opin. Chem. Biol. 2003, 7: 44 – 54.  Ontologies for proteomics – Towards a systematic definition  of structure and function that scales to the genome level. Pubmed.

2. Yuan E; Aramini JM; Montelione GT; Krug RM. Virology. 2002, 304: 291 – 301. Structural basis for ubiquitin-like ISG 15 protein binding to the NS1 protein of influenza B virus: A protein–protein interaction function that is not shared by the corresponding N-terminal domain of the NS1 protein of influenza A virus. Pubmed.

3. Swapna GVT; Huang Y; Palm T; Graboski S; Montelione GT; Hitchcock-DeGregori SE.  Biochemistry. 2003, 42: 614 – 619.  The structure of the carboxyl terminus of striated α-tropomysosin in solution reveals an unusual parallel arrangement of interacting α-helices. Pubmed.

4. Huang YJ; Swapna GVT; Rajan PK; Ke H; Xia B; Shukla K; Inouye M; Montelione GT. J. Molec. Biol. 2003, 327: 521 – 536.  Solution NMR structure of ribosome binding factor A (RbfA), A cold-shock adaptation protein from Escherichia coli.  suppl. material. Pubmed.

5. Gerstein M; Edwards A; Arrowsmith C; Montelione GT.  Science. 2003, 299: 1663. Structural Genomics: Current progress.

6. Zheng D; Huang YJ; Moseley HNB; Xiao R; Aramini J; Swapna GVT; Montelione GT. Protein Science. 2003, 12: 1232 – 1246.  Automated protein fold determination using a minimal NMR constraint strategy.  PMC2323888.

7. Zheng D; Cort JR; Chiang Y; Acton T; Kennedy MA; Montelione GT.  J. Biomol. NMR. 2003, 27: 183 – 184.  ¹H, ¹³C and ¹⁵N resonance assignments for methionine sulfoxide reductase B from Bacillus subtilis. 

8. Goh CS; Lan N; Echols N; Douglas S; Milburn D; Bertone P; Xiao R; Ma LC; Zheng D; Wunderlich Z; Acton T; Montelione GT; Gerstein M.  Nucleic Acids Res.  2003, 31: 2833 – 2838.  SPINE 2: A system for collaborative structural proteomics within a federated database framework. PMC156730. Pubmed.

9. Bayro MJ; Mukhopadhyay J; Swapna GVT; Huang JY; Ma LC; Sineva E; Dawson P; Montelione GT; Ebright RH.  J. Amer. Chem. Soc. 2003, 125: 12382 – 12383.  Structure of antibacterial peptide microcin J25: A 21-residue lariat protoknot.  suppl. material. Pubmed.

10. Forouhar F; Shen J; Xiao R; Acton TB; Montelione GT; Tong L. PROTEINS: Struct. Funct. Genetics. 2003, 53: 329 – 332.  Functional assignment based on structural analysis: The yggJ protein (HI0303) of Haemophilus influenzae is an RNA methyltransferase with a deep trefoil knot. Pubmed.

11. Li W; Zhang Y; Kihara D; Huang YJ; Zheng D; Montelione GT; Kolinski A; Skolnick J.  PROTEINS: Struct. Funct. Genetics. 2003, 53: 290 – 306.  TOUCHSTONEX: Protein structure prediction with sparse NMR data. Pubmed.

12. Aramini JM; Mills JL; Xiao R; Acton TB; Wu MJ; Szyperski T; Montelione GT.  J. Biomol. NMR. 2003, 27: 285 – 286.  Resonance assignments for the hypothetical protein yggU from Escherichia coli. Pubmed.

13. Benach J; Lee I; Edstrom WC; Kuzin A; Chiang Y; Acton TB; Montelione GT; Hunt JF.  J. Biol. Chem. 2003, 278: 19176 – 19182.  The 2.3 Å crystal structure of the shikimate 5-dehydrogenase orthologue YdiB from E. coli suggests a novel catalytic environment for an NAD-dependent dehydrogenase. Pubmed.

14. Aramini JM; Huang YJ; Cort JR; Goldsmith-Fischman S; Xiao R; Shih LY; Ho CK; Liu J; Rost B; Honig B; Kennedy MA; Acton TB; Montelione GT.  Protein Science. 2003, 12: 2823 – 2830.  Solution NMR structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. PMC2366990. Pubmed.

2002

1. McFeeters RL; Swapna GVT; Montelione GT; Oswald RE. J. Biomol. NMR. 2002, 22: 297 – 298.  Semi- automated backbone resonance assignments of the extracellular ligand-binding domain of an ionotropic glutamate receptor. 

2. Chen J; Acton TB; Basu SK; Montelione GT; Inouye M.  J. Molec. Microbiol. Biotech. 2002, 4: 519 – 524.  Enhancement of the solubility of proteins overexpressed in Escherichia coli by heat shock. Pubmed.

3. Monleón D; Colson K; Moseley HNB; Anklin C; Oswald R; Szyperski T; Montelione GT.  J. Struct. Funct. Genomics. 2002, 2: 93 – 101.  Rapid analysis of protein backbone resonance assignments using cryogenic probes, a distributed Linux-based computing architecture, and an integrated set of spectral analysis tools. Pubmed.

4. Mueller L; Montelione GT.  J. Struct. Funct. Genomics. 2002, 2: 67 – 70.  Structural genomics in pharmaceutical design (Meeting Review). 

5. Szyperski T; Yeh DC; Sukumaran DK; Moseley HNB; Montelione GT.  Proc. Natl. Acad. Sci. 2002, 99: 8009 – 8014.  Reduced- dimensionality NMR spectroscopy for high-throughput protein resonance assignment.  suppl. material.  PMC123011. Pubmed.

6. Cort JR; Chiang Y; Zheng D; Montelione GT; Kennedy MA.  PROTEINS: Struct. Funct. Genetics. 2002, 48, 733 – 736.  NMR structure of conserved eukaryotic protein ZK652.3 from C. elegans: A ubiquitin-like fold. 

7. Kennedy MA; Montelione GT; Arrowsmith CH; Markley JL.  J. Struct. Funct. Genomics. 2002, 2: 155 – 169.  Role for NMR in structural genomics. Pubmed.

8. Baran M; Moseley HNB; Sahota G; Montelione GT.  J. Biomol. NMR. 2002, 24: 113 – 121.  SPINS: Standardized ProteIn NMR Storage. A data dictionary and object-oriented relational database for archiving protein NMR spectra.  suppl. material. Pubmed.

9. Lan N; Montelione GT; Gerstein M.  Curr. Opin. Chem. Biol. 2003, 7: 44 – 54.  Ontologies for proteomics – Towards a systematic definition  of structure and function that scales to the genome level. Pubmed.

10. Yuan E; Aramini JM; Montelione GT; Krug RM. Virology. 2002, 304: 291 – 301. Structural basis for ubiquitin-like ISG 15 protein binding to the NS1 protein of influenza B virus: A protein–protein interaction function that is not shared by the corresponding N-terminal domain of the NS1 protein of influenza A virus. Pubmed.

2001

1. Moseley HNB; Monleon D; Montelione GT. Meth. Enzymology. 2001, 339: 91 – 108. Automatic determination of protein backbone resonance assignments from triple-resonance NMR data. Pubmed.

2. Sahasrabudhe PV; Xiao R; Montelione GT. J. Biomol. NMR.  2001, 19: 285 – 286.  Resonance assignments for the N-terminal domain from human RNA-binding protein with multiple splicing (RBP-MS). 

3. Bertone P; Kluger Y; Lan N; Zheng D; Christendat D; Yee A; Edwards AM; Arrowsmith CH; Montelione GT; Gerstein M.  Nucleic Acids Res. 2001, 29: 2884 – 2898.  SPINE: An integrated tracking database and data mining approach for identifying feasible targets in high-throughput structural proteomics.  PMC55760. Pubmed.

4. Kulikowski CA; Muchnik I; Yun HJ; Dayanik AA; Zheng D; Song Y; Montelione GT.  MedInfo 2001 – 10th World Congress on Health and Medicinal Informatics; 2001, 965 – 969.  Protein structural domain parsing by consensus reasoning over multiple knowledge sources and methods. Pubmed.

5. Greenfield NJ; Huang Y; Palm T; Swapna GVT.; Monleon D; Montelione GT; Hitchcock-DeGregori SE. J. Mol. Biol.  2001, 312: 833 – 847.  Solution NMR structure and folding dynamics of the N-terminus of a rat non-muscle α-tropomyosin in an engineered chimeric protein.  suppl. material.

6. Das K; Xiao R; Wahlberg E; Hsu F; Arrowsmith CA; Montelione GT; Arnold E.  PROTEINS: Struct. Func. Genetics. 2001, 45: 486 – 488.  X-ray crystal structure of MTH938 from Methanobacterium thermoautotrophicum at 2.2 Å resolution reveals a novel tertiary protein fold.

7. Montelione GT.  Proc. Natl. Acad. Sci. U.S.A. 2001, 98: 13488 – 13489.  Structural genomics: An approach to the protein folding problem.  PMC61067.

8. Swapna GVT; Shukla K; Huang YJ; Ke H; Xia B; Inouye M; Montelione GT.  J. Biomol. NMR. 2001, 21: 389 – 390.  Resonance assignments for cold-shock protein ribosome-binding factor A (RbfA) for Escherichia coli. Pubmed.

9. Cassetti MC; Noah DL; Montelione GT; Krug RM. Virology. 2001, 289: 180 – 185.  Efficient translation of mRNAs in Influenza A virus-infected cells is independent of the viral 5′ untranslated region. Pubmed.

2000

1. Xiong Y; Juminaga D; Swapna GVT; Wedemayer WJ; Scheraga HA; Montelione GT.  Protein Science. 2000, 9: 421 – 426. Solution NMR evidence for a cis Tyr-Ala peptide group in the structure of [Pro93Ala] bovine pancreatic ribonuclease A.  PMC2144552. Pubmed.

2. McDermott A; Polenova T; Bockmann A; Zilm KW; Paulson EK; Martin RW; Montelione GT. J. Biomol. NMR. 2000, 16: 209 – 219. Partial NMR resonance assignments of uniformly (¹³C,¹⁵N)-labeled BPTI in the solid state. Pubmed.

3. Montelione GT; Anderson S. The Investigational Drugs Database (IDdb). March 15, 2000.  Quantitative challenges in the post-genomic sequence era.

4. Andrec M; Inman KG; Weber DJ; Levy RM; Montelione GT. J. Magn. Reson. 2000, 146: 66 – 80. A Bayesian statistical method for the detection and qualification of rotational diffusion anistropy from NMR relaxational data. Pubmed. 

5. Andrec M; Montelione GT; Levy, R.  J. Biomol. NMR. 2000, 18: 83 – 100.  Lipari-Szabo mapping: A graphical approach to Lipari-Szabo analysis of NMR relaxation data using reduced spectral density mapping. Pubmed.

6. Montelione GT; Zheng D; Huang YJ; Gunsalus KC; Szyperski; T.  Nature Struct. Biol. 2000, 7: 982 – 985. Protein NMR spectroscopy in structural genomics. Pubmed.

1999

1. Montelione GT; Anderson; S. Nature Struct. Biol. 1999, 6: 11 – 12. Structural genomics: Keystone for a human proteome project. Pubmed.

2. Wang W; Riedel K; Lynch P; Chien CY; Montelione GT; Krug RM. RNA. 1999, 5: 195 – 205. RNA-binding by the novel helical domain of the Influenza virus NS1 protein requires its dimer structure and a small number of specific basic amino acids.  PMC1369752. Pubmed.

3. Swapna GVT; Montelione GT. J. Magn. Reson. 1999, 137: 437 – 442. Sensitivity-enhanced Sim-CT HMQC PFG-HBHA(CO)NH and PFG-CBCA(CO)NH triple-resonance experiments. Pubmed.

4. Andrec M; Montelione GT; Levy RM. J. Magn. Reson. 1999, 139: 408 – 421. Estimation of dynamic parameters from NMR relaxation data using the Lipari-Szabo Model-free approach and Bayesian statistical methods. Pubmed.

5. Moseley HNB; Montelione, GT.  Curr. Opin. Struct. Biol. 1999, 9: 635 – 642.  Automated analysis of NMR assignments and structures for proteins. Pubmed.

6. Tejero R; Monleon D; Celda B; Montelione GT. J. Biomol. NMR. 1999, 15: 251 – 264. HYPER: A hierarchical algorithm for automatic determination of protein dihedral-angle constraints and stereospecific C ^βH₂ resonance assignments from NMR data. 

7. Laity JH; Montelione GT; Scheraga HA. Biochemistry. 1999, 38: 16432 – 16442.  Comparison of local and global stability of an analogue of a disulfide-folding intermediate with those of the wild-type protein in bovine pancreatic ribonuclease A: Identification of specific regions of stable structure along the oxidative folding pathway.  suppl. material. Pubmed. 

8. Montelione GT; Rios CB; Swapna GVT; Zimmerman DE. 1999, Biological Magnetic Resonance, v 17: Structural Computation and Dynamics in Protein NMR, pp. 81 – 130. NMR pulse sequences and computational approaches for automated analysis of sequence- specific backbone resonance assignments in proteins. ‘

1998

1. Sahasrabudhe PV; Tejero R; Kitao S; Furuichi Y; Montelione GT. PROTEINS: Struct. Funct. Genetics. 1998, 33: 558 – 566. Homology modeling of an RNP domain from a human RNA-binding protein: Homology-constrained energy optimization provides a criterion for distinguishing potential sequence alignments. Pubmed.

2. Feng W; Tejero R; Zimmerman DE; Inouye M; Montelione GT. Biochemistry. 1998, 37: 10881 – 10896. Solution NMR structure and backbone dynamics of the major cold shock protein (CspA) from Escherichia coli Evidence for conformational dynamics in the ssRNA- binding site.  suppl. material. Pubmed.

3. Montelione GT; Farid RS; Hitchcock-DeGregori SE. Biochemistry. 1998, 37: 7834 – 7843. The structure of the N-terminus of striated muscle α-tropomyosin in a chimeric peptide: Solution NMR structure and circular dichroism studies.  suppl. material.

4. Mullenbach GT; Chiu CY; Gyenes A; Blaney J; Rosenberg S; Marlowe CK; Brown S; Stratton-Thomas J; Montelione GT; George- Nascimento C; Stauber G.  Protein Engineering. 1998, 11: 473 – 480. Modification of a receptor-binding surface of epidermal growth factor (EGF): Analogs with enhanced receptor affinity at low pH or at neutrality. Pubmed.

5. Jin, D; Andrec M; Montelione GT; Levy RM. J. Biomol. NMR. 1998, 12: 471 – 492. Propagation of experimental uncertainties using the Lipari-Szabo model-free analysis of protein dynamics. Pubmed. 

6. Kulikowski CA; Zimmerman D; Montelione GT; Anderson S. Stud. Health Technol. Inform. 1998, 52 Pt. 1: 365-366.  Structural- functional bioinformatics: Knowledge-based NMR interpretation. 

1997

1. Swapna GVT; Ríos CB; Shang Z; Montelione GT. J. Biomol. NMR. 1997, 9: 105 – 111. Application of multiple-quantum line narrowing with simultaneous ¹H and ¹³C constant-time scalar- coupling evolution in PFG-HACANH and PFG-HACA(CO)NH triple-resonance experiments. Pubmed.

2. Li H; Tejero R; Monleon D; Bassolino-Klimas D; Abate-Shen C; Bruccoleri RE; Montelione GT.  Protein Science. 1997, 6: 956 – 970. Homology modeling using simulated annealing of restrained molecular dynamics and conformational search calculations with CONGEN: Application in predicting the three-dimensional structure of murine homeodomain Msx-1.  PMC2143703. Pubmed.

3. Zimmerman DE; Kulikowski CA; Huang Y; Feng W; Tashiro M; Shimotakahara S; Chien CY; Powers R; Montelione GT. J. Mol. Biol. 1997, 269: 592 – 610. Automated analysis of protein NMR assignments using methods from artificial intelligence. Pubmed.

4. Shimotakahara S; Ríos CB; Laity JH; Zimmerman DE; Scheraga HA; Montelione GT. Biochemistry. 1997, 36 : 6915 – 6929.  NMR structural analysis of an analog of an intermediate formed in the rate-determining step of one pathway in the oxidative folding of bovine pancreatic ribonuclease A: Automated analysis of ¹H, ¹³C, and ¹⁵N resonance assignments for wild-type and [C65S, C72S] mutant forms.  suppl. material. Pubmed.

5. Laity JH; Lester C; Shimotakahara S; Zimmerman DE; Montelione GT; Scheraga HA. Biochemistry. 1997, 36: 12683 – 12699. Structural characterization of an analog of the major rate-determining disulfide folding intermediate of bovine pancreatic ribonuclease A.  suppl. material. Pubmed.

6. Shang Z; Swapna GVT; Ríos CB; Montelione GT. J. Am. Chem. Soc. 1997, 119: 9274 – 9278. Sensitivity enhancement of triple-resonance protein NMR spectra by proton evolution of multiple-quantum coherences using a simultaneous ¹H and ¹³C constant-time evolution period.

7. Tashiro M; Tejero R; Zimmerman DE; Celda B; Nilsson B; Montelione GT. J. Mol. Biol. 1997, 272: 573 – 590. High resolution solution NMR structure of the Z domain of staphylococcal protein A. Pubmed.

8. Chien CY; Tejero R; Huang Y; Zimmerman DE; Krug RM; Montelione GT.  Nature Struct. Biol. 1997, 4: 891 – 895.  A novel RNA-binding motif in influenza A virus non-structural protein 1. Pubmed.

9. Liu J; Lynch P; Chien CY; Montelione GT; Krug RM; Berman H. Nature Struct. Biol. 1997, 4: 896 – 899. Crystal structure of the unique RNA- binding domain of the influenza virus NS1 protein. Pubmed.

10. Jin D; Figueirido F; Montelione GT; Levy RM. J. Am. Chem. Soc. 1997, 119: 6923 – 6924. Impact of the precision in NMR relaxation measurements on the interpretation of protein dynamics.

1996

1. Jendeberg L; Tashiro M; Tejero R; Lyons BA; Uhlén M; Montelione GT; Nilsson B. Biochemistry 1996, 35: 22 – 31. The mechanism of binding staphylococcal protein A to immunoglobulin G does not involve helix unwinding. Pubmed.

2. Jansson M; Li YC; Jendeberg L; Anderson S; Montelione GT; Nilsson B. J. Biomol. NMR. 1996, 7: 131 – 141. High- level production of uniformly ¹⁵N-and ¹³C-enriched fusion proteins in Escherichia coli. Pubmed.

3. Bassolino-Klimas D; Tejero R; Krystek SR; Metzler WJ; Montelione GT; Bruccoleri RE.  Protein Science. 1996, 5: 593 – 603. Simulated annealing with restrained molecular dynamics using a flexible restraint potential: Theory and evaluation with simulated NMR constraints.  PMC2143380. Pubmed.

4. Tejero R; Bassolino-Klimas D; Bruccoleri RE; Montelione GT.  Protein Science. 1996, 5: 578 – 592. Simulated annealing with restrained molecular dynamics using CONGEN: Energy refinement of the NMR solution structures of epidermal and type-α transforming growth factors.  PMC2143379.

5. Feng W; Ríos CB; Montelione G. T. J. Biomol. NMR. 1996, 8: 98 – 104. Phase labeling of C-H and C-C spin-system topologies: Applications in PFG-HACANH and PFG-HACA(CO)NH triple-resonance experiments for determining backbone resonance assignments in proteins. Pubmed.

6. Ríos CB; Feng W; Tashiro M; Shang Z; Montelione GT. J. Biomol. NMR. 1996, 8: 345 – 350. Phase labeling of C-H and C-C spin system topologies: Application in constant-time PFG-CBCA(CO)NH experiments for discriminating amino-acid spin-system types. Pubmed.

1995

1. Tashiro M; Montelione GT. Current Opin. In Struct. Biol. 1995, 5: 471 – 481. Structures of bacterial immunoglobulin-binding domains and their complexes with immunoglobulins. Pubmed.

2. Zimmerman DE; Montelione GT. Current Opin. in Struct. Biol. 1995, 5: 664 – 673. Automated analysis of nuclear magnetic resonance assignments for proteins. Pubmed.

3. Celda B; Biamonti C; Arnau MJ; Tejero R; Montelione GT. J. Biomol. NMR. 1995, 5: 161 – 172. Combined use of ¹³C chemical shift and ¹H^α–¹³C^α heteronuclear NOE data in monitoring a protein NMR structure refinement. Pubmed.

4. Li YC; Montelione GT. Biochemistry. 1995, 34: 2408 – 2423. Human type- α transforming growth factor undergoes slow conformational exchange between multiple backbone conformations as characterized by ¹⁵N relaxation measurements. Pubmed.

5. Tashiro M; Ríos CB, Montelione GT. J. Biomol. NMR. 1995, 6: 211 – 216.  Classification of amino acid spin systems using PFG HCC(CO)NH-TOCSY with constant-time aliphatic carbon-13 frequency labeling. Pubmed.

6. Fadel AR; Jin DQ; Montelione GT; Levy RM. J. Biomol. NMR. 1995, 6: 221 – 226. Crankshaft motions of the polypeptide backbone in molecular dynamics simulations of human type-α transforming growth factor. Pubmed.

7. Qian XY; Chien CY; Lu Y; Montelione GT; Krug RM. RNA. 1995, 1: 948 – 956. An amino-terminal polypeptide fragment of the influenza virus NS1 protein possesses specific RNA-binding activity and largely helical backbone structure.  PMC1369343.

1994

1. Campion SR; Biamonti C; Montelione GT; Niyogi SK. Protein Engineering. 1993, 6: 651 – 659. The role of asparagine-32 in forming the receptor-binding epitope of human epidermal growth factor. (featured on cover of August 1994 issue of Protein Engineering).

2. Lyons BA; Tashiro M; Cedergren L, Nilsson B; Montelione GT. Biochemistry. 1993, 32: 7839 – 7845.  An improved strategy for determining resonance assignments for isotopically enriched proteins and its application on an engineered domain of staphylococcal Protein A.

3. Li YC; Montelione GT. J. Magn. Reson. 1993, B101: 315 – 319. Solvent saturation-transfer effects in pulsed-field-gradient heteronuclear single- quantum coherence (PFG-HSQC) spectra of polypeptides and proteins.

4. Zimmerman D; Kulikowski C; Montelione GT. Proc. Int. Conf. Intell. Syst. Mol. Biol. 1993, 1: 447 – 455. A constraint reasoning system for automating sequence-specific resonance assignments in multidimensional protein NMR spectra.

5. Zimmerman D; Kulikowski C; Wang L; Lyons B; Montelione GT. J. Biomol. NMR. 1994, 4: 241 – 256. Automated sequencing of amino acid spin systems in proteins using multidimensional HCC(CO)NH-TOCSY spectroscopy and constraint propagation methods from artificial intelligence.

6. Li YC; Montelione GT. J. Magn. Reson. 1994, 105: 45 – 51. Overcoming solvent saturation-transfer artifacts in protein NMR at neutral pH: Application of pulsed-field gradients in measurements of¹H- ¹⁵N Overhauser effects.

7. Newkirk K; Feng W; Jiang W; Tejero R; Emerson SD; Inouye M; Montelione GT. Proc. Natl. Acad. Sci. U.S.A. 1994, 91: 5114 – 5118. Solution NMR structure of the major cold-shock protein (CspA) from Escherichia coli : Identification of a binding epitope for DNA.  PMC43942.

8. Shang Z; Isaac VE; Li H; Patel L; Catron KM; Curran T; Montelione GT; Abate C. Proc. Natl. Acad. Sci. U.S.A. 1994, 91: 8373 – 8377. Design of a “minimA1” homeodomain: the N- terminal arm modulates DNA binding affinity and stabilizes homeodomain structure.  PMC44608.

9. Biamonti C; Ríos CB; Lyons BA; Montelione GT. Advances in Biophysical Chemistry. 1994, 4: 51 – 120. Multidimensional NMR experiments and analysis techniques for determining homo- and heteronuclear scalar coupling constants in proteins and nucleic acids. 

1993

1. Lyons BA; Montelione GT. J. Magn. Reson. 1993, B101: 206 – 209. An HCCNH triple-resonance experiment using carbon-13 isotropic mixing for correlating backbone amide and side-chain aliphatic resonances in isotopically enriched proteins.

2. Celda B; Montelione GT. J. Magn. Reson. 1993, B101: 189 – 193. Total correlation spectroscopy (TOCSY) of proteins using coaddition of spectra recorded with several mixing times.

3. Moy FJ; Li YC; Rauenbuehler P; Winkler ME; Scheraga HA; Montelione GT. Biochemistry. 1993, 32: 7334 – 7353. Solution structure of human type-α transforming growth factor determined by heteronuclear NMR spectroscopy and refined by energy minimization with restraints.  suppl. material.

4. Campion SR; Biamonti C; Montelione GT; Niyogi SK. Protein Engineering. 1993, 6: 651 – 659. The role of asparagine-32 in forming the receptor-binding epitope of human epidermal growth factor. (featured on cover of August 1994 issue of Protein Engineering).

5. Lyons BA; Tashiro M; Cedergren L; Nilsson B; Montelione GT. Biochemistry. 1993, 32: 7839 – 7845.  An improved strategy for determining resonance assignments for isotopically enriched proteins and its application on an engineered domain of staphylococcal Protein A.

6. Li YC; Montelione GT. J. Magn. Reson. 1993, B101: 315 – 319. Solvent saturation-transfer effects in pulsed-field-gradient heteronuclear single- quantum coherence (PFG-HSQC) spectra of polypeptides and proteins.

7. Zimmerman D; Kulikowski C; Montelione GT. Proc. Int. Conf. Intell. Syst. Mol. Biol. 1993, 1: 447 – 455. A constraint reasoning system for automating sequence-specific resonance assignments in multidimensional protein NMR spectra.

1992

1. Montelione GT; Wüthrich K; Burgess AW; Nice EC; Wagner G; Gibson KD; Scheraga HA. Biochemistry. 1992, 31: 236 – 249. Solution structure of murine epidermal growth factor determined by NMR spectroscopy and refined by energy minimization with restraints. 

2. Emerson SD; Montelione GT. J. Amer. Chem. Soc. 1992, 114: 354 – 356. Accurate measurements of proton scalar coupling constants using carbon-13 isotropic mixing spectroscopy. 

3. Montelione GT; Emerson SD; Lyons BA. Biopolymers. 1992, 32: 327 – 334. A general approach for determining scalar coupling constants in polypeptides and proteins.

4. Moy FJ; Scheraga HA; Patt SL; Montelione GT. J. Magn. Reson. 1992, 98: 451 – 457. Application of frequency-shifted shaped pulses for overcoming solvent-saturation transfer and pre-irradiation associated spin-diffusion effects in aqueous solutions of polypeptides and proteins. 

5. Emerson SD; Montelione GT. J. Magn. Reson. 1992, 99: 413 – 420. 2D and 3D HCCH TOCSY experiments for determining ³J(H^α-H^β) coupling constants of amino acid residues. 

6. Montelione GT; Lyons BA; Emerson SD; Tashiro M. J. Amer. Chem. Soc. 1992, 114: 10974 – 10975. An efficient triple resonance experiment using carbon-13 isotropic mixing for determining sequence-specific resonance assignments of isotopically enriched proteins. suppl. material.

1990

1. Wagner G; Nirmala NR; Montelione GT; Hyberts S. Frontiers of NMR in Molecular Biology. 129 – 143. 1990. A.R. Liss, Inc., New York, NY. Static and dynamic aspects of protein structure. 

2. Montelione, G.T.; Wagner, G. J. Magn. Reson. 1990, 87: 183 – 188. Conformation-independent sequential NMR connections in isotope-enriched polypeptides by ¹H-¹³C- ¹⁵N triple-resonance experiments. 

3. Engler, D.A.; Montelione, G.T.; Niyogi, S.K. FEBS Lett. 1990, 271: 47 – 50. Human epidermal growth factor: Distinct roles of Tyr-37 and Arg-41 in receptor binding as determined by site-directed mutagenesis and nuclear magnetic resonance spectroscopy. 

1989

1. Montelione, G.T.; Winkler, M.E.; Burton, L.E.;Rinderknecht, E.; Sporn, M.B.; Wagner, G. Proc. Natl. Acad. Sci. U.S.A. 1989, 86: 1519 – 1523. Sequence-specific ¹H-NMR assignments and identification of two small anti-parallel β-sheets in the solution structure of recombinant human transforming growth factor-α.  PMC286729

2. Montelione, G.T.; Wagner, G. J. Amer. Chem. Soc. 1989, 111: 3096 – 3098. 2D chemical exchange NMR spectroscopy by proton-detected heteronuclear correlation. 

3. Montelione, G.T.; Winkler, M.; Rauenbuehler, P.; Wagner,G. J. Magn. Reson. 1989, 82: 198 – 204. Accurate measurements of long-range heteronuclear coupling constants from homonuclear 2D NMR spectra of isotope- enriched proteins. 

4. Montelione, G.T.; Wagner, G. J. Amer. Chem. Soc. 1989, 111: 5474 – 5475. Accurate measurements of homonuclear H^N-H^α coupling constants in polypeptides using heteronuclear 2D NMR experiments. (pdf)

5. Moy, F.J.; Scheraga, H.A.; Liu, J.-F.; Wu, R.; Montelione, G.T. Proc. Natl. Acad. Sci. U.S.A. 1989, 86: 9836 – 9840. Conformational characterization of a single-site mutant of murine epidermal growth factor (EGF) by ¹H-NMR provides evidence that leucine-47 is involved in interactions with the EGF receptor.  PMC298597

6. Montelione, G.T.; Scheraga, H.A.  Accts. Chem. Research 1989, 22: 70 – 76. Formation of local structures in protein folding. 

1988

1. Montelione, G.T.; Wüthrich, K.; Scheraga, H.A. Biochemistry 1988, 27: 2235 – 2243. Sequence-specific ¹H-NMR assignments and identification of slowly exchanging amide protons in murine epidermal growth factor. suppl. material 

2. Ray, P.; Moy, F.; Montelione, G.T.; Liu, J.-F.; Narang, S.A.; Scheraga, H.A.; Wu, R. Biochemistry 1988, 27: 7289 – 7295. Structure- function studies of murine epidermal growth factor: Expression and site- directed mutagenesis of the epidermal growth factor gene. 

1987

1. Talluri S; Montelione GT; Van Duyne G; Piela L; Clardy J; Scheraga HA. J. Amer. Chem. Soc. 1987, 109: 4473 – 4477. Conformational properties of 2,4-methanoproline (2,carboxy-2,4-methanopyrrolidine) in peptides: Evidence for 2,4-methanopyrrolidine asymmetry based on solid state X-ray crystallography, ¹H-NMR in aqueous solution, and CNDO/2 conformational energy calculations.  suppl. material.

2. Haas E; Montelione GT; McWherter CA; Scheraga HA. Biochemistry. 1987, 26: 1672 – 1682. Local structure in a tryptic fragment of performic acid oxidized ribonuclease A corresponding to a proposed polypeptide chain-folding initiation site detected by tyrosine fluorescence lifetime and proton magnetic resonance measurements.

3. Montelione GT; Wüthrich K; Nice EC; Burgess AW; Scheraga HA. Proc. Natl. Acad. Sci. U.S.A. 1987, 84: 5226 – 5230. Solution structure of murine epidermal growth factor: Determination of the polypeptide backbone chain-fold by nuclear magnetic resonance and distance geometry.  PMC298827.

1986

1. Stimson ER; Meinwald YC; Montelione GT; Scheraga HA. Intl. J. Peptide Protein Res. 1986, 27: 569 – 582. Conformational properties of trans Ac- Asn-Pro-Tyr-NHMe and trans Ac-Tyr-Pro-Asn-NHMe in dimethylsulfoxide and in water determined by multinuclear NMR spectroscopy. 

2. Montelione GT; Hughes P; Clardy J; Scheraga HA. J. Amer. Chem. Soc. 1986, 108: 6765 – 6773. Conformational properties of 2,4-methanoproline (2-carboxy-2,4-methanopyrrolidine) in peptides: Determination of preferred peptide bond conformations in aqueous solution by proton Overhauser measurements.

3. Montelione GT; Wüthrich K; Nice EC; Burgess AW; Scheraga HA. Proc. Natl. Acad. Sci. U.S.A. 1986, 83: 8594 – 8598. Identification of two anti-parallel beta-sheet conformations in the solution structure of murine epidermal growth factor by proton magnetic resonance.  PMC386977.

1984

1. Montelione GT; Arnold E; Meinwald YC; Stimson ER; Denton JB; Huang SG; Clardy J; Scheraga HA. J. Amer. Chem. Soc. 1984, 106: 7946 – 7958. Chain-folding initiation structures in ribonuclease A: Conformational analysis of trans Ac-Asn-Pro-Tyr-NHMe and trans Ac-Tyr-Pro-Asn-NHMe in water and in the solid state.  suppl. material  addition/correction. 

2. Oka M; Montelione GT; Scheraga HA. J. Amer. Chem. Soc. 1984, 106: 7959 – 7969. Chain-folding initiation structures in ribonuclease A: Conformational free energy calculations on Ac-Asn-Pro-Tyr- NHMe, Ac-Tyr-Pro-Asn-NHMe, and related peptides.  suppl. material. 

3. Swadesh JK; Montelione GT; Thannhauser TW; Scheraga HA. Proc. Natl. Acad. Sci. U.S.A. 1984, 81: 4606 – 4610. Local structure involving histidine-12 in reduced S-sulfonated ribonuclease A detected by proton NMR spectroscopy under folding conditions.  PMC345642.

1982

1. Stimson ER; Montelione GT; Meinwald YC; Rudolph RKE; Scheraga HA. Biochemistry. 1982, 21: 5252 – 5262. Equilibrium ratios of cis– and trans-proline conformers in fragments of ribonuclease A from nuclear magnetic resonance spectra of adjacent tyrosine ring resonances.  suppl. material. 

1981

1. Montelione, G.T.; Callahan, S.; Podleski, T.R. Biochim. Biophys. Acta 1981 , 670: 110 – 123. Physical and chemical characterization of the major lactose-blockable lectin activity from fetal calf skeletal muscle.