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Gaetano T. Montelione Laboratory
CABM Protein NMR Laboratory

Publications of G. T. Montelione and co-workers

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  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. (pdf)
  2. Stimson, E.R.; Montelione, G.T.; Meinwald, Y.C.; Rudolph, R.K.E.; Scheraga, H.A. 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. (pdf) suppl. material (pdf)
  3. Montelione, G.T.; Arnold, E.; Meinwald, Y.C.; Stimson, E.R.; Denton, J.B.; Huang, S.-G.; Clardy, J.; Scheraga, H.A. 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. (pdf) addition/correction (pdf)
  4. Oka, M.; Montelione, G.T.; Scheraga, H.A. 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. (pdf) suppl. material (pdf)
  5. Swadesh, J.K.; Montelione, G.T.; Thannhauser, T.W.; Scheraga, H.A. 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. (pdf) PMC345642
  6. Stimson, E.R.; Meinwald, Y.C.; Montelione, G.T.; Scheraga, H.A. 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. (pdf)
  7. Montelione, G.T.; Hughes, P.; Clardy, J.; Scheraga, H.A. 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. (pdf)
  8. Montelione, G.T.; Wüthrich, K.; Nice, E.C.; Burgess, A.W.; Scheraga, H.A. 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. (pdf) PMC386977
  9. Talluri, S.; Montelione, G.T.; Van Duyne, G.; Piela,L.; Clardy, J.; Scheraga, H.A. 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. (pdf) suppl. material (pdf)
  10. Haas, E.; Montelione, G.T.; McWherter, C.A.; Scheraga, H.A. 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. (pdf)
  11. Montelione, G.T.; Wüthrich, K.; Nice, E.C.; Burgess, A.W.; Scheraga, H.A. 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. (pdf) PMC298827
  12. 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. (pdf) suppl. material (pdf)
  13. 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. (pdf)
  14. 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. (pdf) PMC286729
  15. Montelione, G.T.; Wagner, G. J. Amer. Chem. Soc. 1989, 111: 3096 – 3098. 2D chemical exchange NMR spectroscopy by proton-detected heteronuclear correlation. (pdf)
  16. 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. (pdf)
  17. Montelione, G.T.; Wagner, G. J. Amer. Chem. Soc. 1989, 111: 5474 – 5475. Accurate measurements of homonuclear HN-Hα coupling constants in polypeptides using heteronuclear 2D NMR experiments. (pdf)
  18. 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. (pdf) PMC298597
  19. Montelione, G.T.; Scheraga, H.A.  Accts. Chem. Research 1989, 22: 70 - 76. Formation of local structures in protein folding. (pdf)
  20. Wagner, G.; Nirmala, N.R.; Montelione, G.T.; Hyberts, S. "Frontiers of NMR in Molecular Biology" pp. 129 - 143.  1990. A.R. Liss, Inc., New York, NY Static and dynamic aspects of protein structure. (pdf)
  21. 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. (pdf)
  22. 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. (pdf)
  23. Montelione, G.T.; Wüthrich, K.; Burgess, A.W.; Nice, E.C.; Wagner, G.; Gibson, K.D.; Scheraga, H.A. Biochemistry 1992, 31: 236 - 249. Solution structure of murine epidermal growth factor determined by NMR spectroscopy and refined by energy minimization with restraints. (pdf)
  24. Emerson, S.D.; Montelione, G.T. J. Amer. Chem. Soc. 1992, 114: 354 - 356. Accurate measurements of proton scalar coupling constants using carbon-13 isotropic mixing spectroscopy. (pdf)
  25. Montelione, G.T.; Emerson, S.D.; Lyons, B.A. Biopolymers 1992, 32: 327 - 334.  A general approach for determining scalar coupling constants in polypeptides and proteins. (pdf)
  26. Moy, F.J.; Scheraga, H.A.; Patt, S.L.; Montelione, G.T. 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. (pdf)
  27. Emerson, S.D.; Montelione, G.T. J. Magn. Reson. 1992, 99: 413 – 420. 2D and 3D HCCH TOCSY experiments for determining 3J(Hα-Hβ) coupling constants of amino acid residues. (pdf)
  28. Montelione, G.T.; Lyons, B.A.; Emerson, S.D.; 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.(pdf) suppl. material (pdf)
  29. Lyons, B.A.; Montelione, G.T. 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. (pdf)
  30. Celda, B.; Montelione, G.T. J. Magn. Reson. 1993, B101: 189 - 193. Total correlation spectroscopy (TOCSY) of proteins using coaddition of spectra recorded with several mixing times. (pdf)
  31. Moy, F.J.; Li, Y.-C.; Rauenbuehler, P; Winkler, M.E.; Scheraga, H.A.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  32. Campion, S.R.; Biamonti, C.; Montelione, G.T.; Niyogi, S.K. 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). (pdf)
  33. Lyons, B.A.; Tashiro, M; Cedergren, L., Nilsson, B.; Montelione, G.T. 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. (pdf)
  34. Li, Y.-C.; Montelione, G.T. 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. (pdf)
  35. Zimmerman, D.; Kulikowski, C.; Montelione, G.T. 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. (pdf)
  36. Zimmerman, D.; Kulikowski, C.; Wang, L.; Lyons, B.; Montelione, G.T. 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. (pdf)
  37. Li, Y.-C.; Montelione, G.T. J. Magn. Reson. 1994, B105: 45 - 51. Overcoming solvent saturation-transfer artifacts in protein NMR at neutral pH: Application of pulsed-field gradients in measurements of1H- 15N Overhauser effects. (pdf)
  38. Newkirk, K.; Feng, W.; Jiang, W.; Tejero, R.; Emerson, S.D.; Inouye, M.; Montelione, G.T. 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. (pdf) PMC43942
  39. Shang, Z.; Isaac, V.E.; Li, H.; Patel, L.; Catron, K.M.; Curran, T.; Montelione, G.T.; 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. (pdf) PMC44608
  40. Biamonti, C.; Ríos, C. B.; Lyons, B.A.; Montelione, G.T. 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. (pdf)
  41. Tashiro, M.; Montelione, G. T. Current Opin. In Struct. Biol. 1995, 5: 471 - 481. Structures of bacterial immunoglobulin-binding domains and their complexes with immunoglobulins. (pdf)
  42. Zimmerman, D.E.; Montelione, G. T. Current Opin. in Struct. Biol. 1995, 5: 664 - 673. Automated analysis of nuclear magnetic resonance assignments for proteins. (pdf)
  43. Celda, B.; Biamonti, C.; Arnau, M. J.; Tejero, R.; Montelione, G.T. J. Biomol. NMR 1995, 5: 161 - 172. Combined use of 13C chemical shift and 1Hα-13Cα heteronuclear NOE data in monitoring a protein NMR structure refinement. (pdf)
  44. Li, Y.-C.; Montelione, G. T. 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. (pdf)
  45. Tashiro, M.; Ríos, C. B., Montelione, G. T. 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. (pdf)
  46. Fadel, A. R.; Jin, D. Q.; Montelione, G. T.; Levy, R. M. J. Biomol. NMR 1995, 6: 221 - 226. Crankshaft motions of the polypeptide backbone in molecular dynamics simulations of human type-α transforming growth factor. (pdf)
  47. Qian, X.-Y.; Chien, C.-Y.; Lu, Y.; Montelione, G.T.; Krug, R.M. 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. (pdf) PMC1369343
  48. Jendeberg, L.; Tashiro, M.; Tejero, R.; Lyons, B.A.; Uhlén, M.; Montelione, G.T.; Nilsson, B. Biochemistry 1996, 35: 22 - 31.  The mechanism of binding staphylococcal protein A to immunoglobulin G does not involve helix unwinding. (pdf)
  49. Jansson, M.; Li, Y.-C.; Jendeberg, L.; Anderson, S.; Montelione, G.T.; Nilsson, B. J. Biomol. NMR 1996, 7: 131 - 141. High- level production of uniformly 15N-and 13C-enriched fusion proteins in Escherichia coli. (pdf)
  50. Bassolino-Klimas, D.; Tejero, R.; Krystek, S.R.; Metzler, W.J.; Montelione, G.T.; Bruccoleri, R.E.  Protein Science 1996, 5: 593 - 603. Simulated annealing with restrained molecular dynamics using a flexible restraint potential: Theory and evaluation with simulated NMR constraints. (pdf) PMC2143380
  51. Tejero, R.; Bassolino-Klimas, D.; Bruccoleri, R.E.; Montelione, G.T.  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. (pdf) PMC2143379
  52. Feng, W.; Ríos, C.B.; 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. (pdf)
  53. Ríos, C.B.; Feng, W.; Tashiro, M.; Shang, Z.; Montelione, G.T. 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. (pdf)
  54. Swapna, G.V.T.; Ríos, C.B.; Shang, Z.; Montelione, G.T. 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. (pdf)
  55. Li, H.; Tejero, R.; Monleon, D.; Bassolino-Klimas, D.; Abate-Shen, C.; Bruccoleri, R.E.; Montelione, G.T.  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. (pdf) PMC2143703
  56. Zimmerman, D.E.; Kulikowski, C.A.; Huang, Y.; Feng, W.; Tashiro, M.; Shimotakahara, S.; Chien, C-Y.; Powers, R.; Montelione G.T. J. Mol. Biol. 1997, 269: 592 - 610. Automated analysis of protein NMR assignments using methods from artificial intelligence. (pdf)
  57. Shimotakahara, S.; Ríos, C.B.; Laity, J.H.; Zimmerman, D.E.; Scheraga, H.A.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  58. Laity, J.H.; Lester, C.; Shimotakahara, S.; Zimmerman, D.E.; Montelione, G.T.; Scheraga, H.A. Biochemistry 1997, 36: 12683 - 12699. Structural characterization of an analog of the major rate-determining disulfide folding intermediate of bovine pancreatic ribonuclease A. (pdf) suppl. material (pdf)
  59. Shang, Z.; Swapna, G.V.T.; Ríos, C.B.; Montelione, G.T. 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. (pdf)
  60. Tashiro, M.; Tejero, R.; Zimmerman, D.E.; Celda, B.; Nilsson, B.; Montelione, G.T. J. Mol. Biol. 1997, 272: 573 - 590. High resolution solution NMR structure of the Z domain of staphylococcal protein A. (pdf)
  61. Chien, C.-Y.; Tejero, R.; Huang, Y.; Zimmerman, D.E.; Krug, R.M.; Montelione, G.T.  Nature Struct. Biol. 1997, 4: 891 – 895.  A novel RNA-binding motif in influenza A virus non-structural protein 1. (pdf)
  62. Liu, J.; Lynch, P.; Chien, C.-Y; Montelione, G.T.; Krug, R.M.; Berman, H. Nature Struct. Biol. 1997, 4: 896 - 899. Crystal structure of the unique RNA- binding domain of the influenza virus NS1 protein. (pdf)
  63. Jin, D.; Figueirido, F.; Montelione, G.T.; Levy, R.M. J. Am. Chem. Soc. 1997, 119: 6923 - 6924. Impact of the precision in NMR relaxation measurements on the interpretation of protein dynamics. (pdf)
  64. Sahasrabudhe, P. V.; Tejero, R.; Kitao, S.; Furuichi, Y.; Montelione, G. T. 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. (pdf)
  65. Feng, W.; Tejero, R.; Zimmerman, D.E.; Inouye, M.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  66. Greenfield, N. J.; Montelione, G. T.; Farid, R. S.; Hitchcock-DeGregori, S. E. 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. (pdf) suppl. material (pdf)
  67. Mullenbach, G. T.; Chiu, C. Y.; Gyenes, A.; Blaney, J.; Rosenberg, S.; Marlowe, C. K.; Brown, S.; Stratton-Thomas, J.; Montelione, G. T.; 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. (pdf)
  68. Jin, D.; Andrec, M.; Montelione, G. T.; Levy, R. M. J. Biomol. NMR 1998, 12: 471 - 492.  Propagation of experimental uncertainties using the Lipari-Szabo model-free analysis of protein dynamics. (pdf)
  69. Kulikowski, C.A.; Zimmerman, D.; Montelione, G.T.; Anderson, S. Stud. Health Technol. Inform. 1998, 52 Pt. 1: 365-366.   Structural- functional bioinformatics: Knowledge-based NMR interpretation. (pdf)
  70. Montelione, G. T. and Anderson, S.  Nature Struct. Biol. 1999, 6: 11 - 12. Structural genomics: Keystone for a human proteome project. (pdf)
  71. Wang, W.; Riedel, K.; Lynch, P.; Chien, C.-Y.; Montelione, G. T.; and Krug, R. M. 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. (pdf) PMC1369752
  72. Swapna, G.V.T.; Montelione, G.T. J. Magn. Reson. 1999, 137: 437 – 442. Sensitivity-enhanced Sim-CT HMQC PFG-HBHA(CO)NH and PFG-CBCA(CO)NH triple-resonance experiments. (pdf)
  73. Andrec, M.; Montelione, G. T.; Levy, R. M. 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. (pdf)
  74. Moseley, H. N. B. and Montelione, G. T.  Curr. Opin. Struct. Biol. 1999, 9: 635 - 642.  Automated analysis of NMR assignments and structures for proteins. (pdf)
  75. Tejero, R.; Monleon, D.; Celda, B.; Montelione, G.T. 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. (pdf)
  76. Laity, J. H.; Montelione, G. T.; Scheraga, H. A. 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. (pdf) suppl. material (pdf)
  77. Montelione, G.T.; Rios, C.B.; Swapna, G.V.T.; Zimmerman, D.E. in Berliner and N.R. Krishna, Eds. 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. (pdf)
  78. Xiong, Y.; Juminaga, D.; Swapna, G. V. T.; Wedemayer, W. J.; Scheraga, H. A.; Montelione, G. T.  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. (pdf) PMC2144552
  79. McDermott, A.; Polenova, T.; Bockmann, A.; Zilm, K.W.; Paulson, E.K.;Martin, R.W.; Montelione, G. T. J. Biomol. NMR 2000, 16: 209 – 219. Partial NMR resonance assignments of uniformly (13C,15N)-labeled BPTI in the solid state. (pdf)
  80. Montelione, G.T. & Anderson, S.  The Investigational Drugs Database (IDdb) March 15, 2000.  Quantitative challenges in the post-genomic sequence era.
  81. Andrec, M.; Inman, K. G.; Weber, D. J.; Levy, R. M.; Montelione, G. T.  J. Magn. Reson. 2000, 146: 66 - 80. A Bayesian statistical method for the detection and qualification of rotational diffusion anistropy from NMR relaxational data. (pdf)
  82. Andrec, M.; Montelione, G.T.; and 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. (pdf)
  83. Montelione, G.T.; Zheng, D.; Huang, Y.J.; Gunsalus, K.C; Szyperski, T.  Nature Struct. Biol. 2000, 7: 982 - 985. Protein NMR spectroscopy in structural genomics. (pdf)
  84. Moseley, H.N.B.; Monleon, D.; Montelione, G.T. Meth. Enzymology 2001, 339: 91 - 108. Automatic determination of protein backbone resonance assignments from triple-resonance NMR data. (pdf)
  85. Sahasrabudhe, P.V.; Xiao, R.; Montelione, G.T. J. Biomol. NMR  2001, 19: 285 - 286.  Resonance assignments for the N-terminal domain from human RNA-binding protein with multiple splicing (RBP-MS). (pdf)
  86. Bertone, P.; Kluger, Y.; Lan, N.; Zheng, D.; Christendat, D.; Yee, A.; Edwards, A.M.; Arrowsmith, C.H.; Montelione, G.T.; 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. (pdf) PMC55760
  87. Kulikowski, C.A.; Muchnik, I.; Yun, H.J.; Dayanik, A.A.; Zheng, D.; Song, Y.; and Montelione, G.T.  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. (pdf)
  88. Greenfield, N.J.; Huang, Y.; Palm, T.; Swapna, G.V.T.; Monleon, D.; Montelione, G.T.; Hitchcock-DeGregori, S.E. 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. (pdf) suppl. material (pdf)
  89. Das, K.; Xiao, R.; Wahlberg, E.; Hsu, F.; Arrowsmith, C.A.; Montelione, G.T.; 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. (pdf)
  90. Montelione, G.T.  Proc. Natl. Acad. Sci. U.S.A. 2001, 98: 13488 - 13489.  Structural genomics: An approach to the protein folding problem. (pdf) PMC61067
  91. Swapna, G.V.T.; Shukla, K.; Huang, Y.J.; Ke, H.; Xia, B.; Inouye, M.; Montelione, G.T.  J. Biomol. NMR  2001, 21: 389 - 390.  Resonance assignments for cold-shock protein ribosome-binding factor A (RbfA) for Escherichia coli. (pdf)
  92. Cassetti, M.C.; Noah, D.L.; Montelione; G.T.; Krug, R.M.  Virology 2001, 289: 180 - 185.  Efficient translation of mRNAs in Influenza A virus-infected cells is independent of the viral 5′ untranslated region. (pdf)
  93. McFeeters, R.L.; Swapna, G.V.T.; Montelione, G.T.; Oswald, R.E.  J. Biomol. NMR  2002, 22: 297 - 298.  Semi- automated backbone resonance assignments of the extracellular ligand-binding domain of an ionotropic glutamate receptor. (pdf)
  94. Chen, J.; Acton, T.B.; Basu, S.K.; Montelione, G.T.; Inouye, M.  J. Molec. Microbiol. Biotech.  2002, 4: 519 - 524.  Enhancement of the solubility of proteins overexpressed in Escherichia coli by heat shock. (pdf)
  95. Monleón, D.; Colson, K.; Moseley, H.N.B.; Anklin, C.; Oswald, R.; Szyperski, T.; Montelione, G.T.  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. (pdf)
  96. Mueller, L.; Montelione, G.T.  J. Struct. Funct. Genomics 2002, 2: 67 - 70.  Structural genomics in pharmaceutical design (Meeting Review). (pdf)
  97. Szyperski, T.; Yeh, D.C.; Sukumaran, D.K.; Moseley, H.N.B.; Montelione, G.T.  Proc. Natl. Acad. Sci. 2002, 99: 8009 - 8014.  Reduced- dimensionality NMR spectroscopy for high-throughput protein resonance assignment. (pdf) suppl. material (pdf) PMC123011
  98. Cort, J.R.; Chiang, Y.; Zheng, D.; Montelione, G.T.; Kennedy, M.A.  PROTEINS: Struct. Funct. Genetics 2002, 48, 733 - 736.  NMR structure of conserved eukaryotic protein ZK652.3 from C. elegans: A ubiquitin-like fold. (pdf)
  99. Kennedy, M.A.; Montelione, G.T.; Arrowsmith, C.H.; Markley, J.L.  J. Struct. Funct. Genomics 2002, 2: 155 - 169.  Role for NMR in structural genomics. (pdf)
  100. Baran, M.; Moseley, H.N.B.; Sahota, G.; Montelione, G.T.  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. (pdf) suppl. material (pdf)
  101. Lan, N.; Montelione, G.T.; 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. (pdf)
  102. Yuan, E.; Aramini, J.M.; Montelione, G.T.; Krug, R. M.  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. (pdf)
  103. Greenfield, N.J.; Swapna, G.V.T.; Huang, Y.; Palm, T.; Graboski, S.; Montelione, G.T.; Hitchcock-DeGregori, S.E.  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. (pdf)
  104. Huang, Y.P.; Swapna, G.V.T.; Rajan, P.K.; Ke, H.; Xia, B.; Shukla, K.; Inouye, M.; Montelione, G. T.  J. Molec. Biol. 2003, 327: 521 – 536.  Solution NMR structure of ribosome binding factor A (RbfA), A cold-shock adaptation protein from Escherichia coli. (pdf) suppl. material (pdf)
  105. Gerstein, M.; Edwards, A.; Arrowsmith, C.; Montelione, G.T.  Science 2003, 299: 1663. Structural Genomics: Current progress (pdf)
  106. Zheng, D.; Huang, Y.J.; Moseley, H.N.B.; Xiao, R.; Aramini, J.; Swapna, G.V.T.; Montelione, G.T.  Protein Science  2003, 12: 1232 – 1246.  Automated protein fold determination using a minimal NMR constraint strategy. (pdf) PMC2323888
  107. Zheng, D.; Cort, J.R.; Chiang, Y.; Acton, T.; Kennedy, M.A.; Montelione, G.T.  J. Biomol. NMR  2003, 27: 183 - 184.  1H, 13C and 15N resonance assignments for methionine sulfoxide reductase B from Bacillus subtilis. (pdf)
  108. Goh, C.-S.; Lan, N.; Echols, N.; Douglas, S.; Milburn, D.; Bertone, P.; Xiao, R.; Ma, L.-C.; Zheng, D.; Wunderlich, Z.; Acton, T. ; Montelione, G.T.; Gerstein, M.  Nucleic Acids Res.  2003, 31: 2833 – 2838.  SPINE 2: A system for collaborative structural proteomics within a federated database framework. (pdf) PMC156730
  109. Bayro, M.J.; Mukhopadhyay, J.; Swapna, G.V.T.; Huang, J.Y.; Ma, L.-C.; Sineva, E.; Dawson, P.; Montelione, G.T.; Ebright, R.H.  J. Amer. Chem. Soc. 2003, 125: 12382 - 12383.  Structure of antibacterial peptide microcin J25: A 21-residue lariat protoknot. (pdf) suppl. material (pdf)
  110. Forouhar, F.; Shen, J.; Xiao, R.; Acton, T.B.; Montelione, G.T.; 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. (pdf)
  111. Li, W.; Zhang, Y.; Kihara, D.; Huang, Y.J.; Zheng, D.; Montelione, G.T.; Kolinski, A.; Skolnick, J.  PROTEINS: Struct. Funct. Genetics  2003, 53: 290 - 306.  TOUCHSTONEX: Protein structure prediction with sparse NMR data. (pdf)
  112. Aramini, J.M.; Mills, J.L.; Xiao, R.; Acton, T.B.; Wu, M.J.; Szyperski, T. Montelione, G.T.  J. Biomol. NMR  2003, 27: 285 - 286.  Resonance assignments for the hypothetical protein yggU from Escherichia coli. (pdf)
  113. Benach, J.; Lee, I.; Edstrom, W.C.; Kuzin, A.; Chiang, Y.; Acton, T.B.; Montelione, G.T.; Hunt, J.F.  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. (pdf)
  114. Aramini, J.M.; Huang, Y.J.; Cort, J.R.; Goldsmith-Fischman, S.; Xiao, R.; Shih, L.-Y.; Ho, C.K.; Liu, J.; Rost, B.; Honig, B.; Kennedy, M.A.; Acton, T.B.; Montelione, G.T.  Protein Science 2003, 12: 2823 – 2830.  Solution NMR structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. (pdf) PMC2366990
  115. Monleon, D.; Chiang, Y.; Aramini, J.M.; Swapna, G.V.T.; Macapagal, D.; Gunsalus, K.C.; Kim, S.; Szyperski, T; Montelione, G.T.  J. Biomol. NMR 2004, 28: 91 - 92.  Backbone 1H, 15N and 13C assignments for the 21 kDa Caenorhabditis elegans homologue of 'brain-specific' protein. (pdf)
  116. Zheng, D.; Aramini, J.; Montelione, G.T.  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. (pdf) PMC2286702
  117. Goh, C.-S.; Lan, N.; Douglas, S.M.; Wu, B.; Echols, N.; Smith, A.; Milburn, D.; Montelione, G.T.; 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. (pdf)
  118.  Chien, C.-Y.; Xu, Y.; Xiao, R.; Aramini, J.M.; Sahasrabudhe, P.V.; Krug, R.M.; Montelione, G.T.  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. (pdf)
  119. Moseley, H.N.B.; Sahota, G.; Montelione, G.T.  J. Biomol. NMR 2004, 28: 341 - 355.  Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. (pdf)
  120. Das, K.; Acton, T.B.; Chiang, Y.; Shih, L.; Arnold, E.; Montelione, G.T. Proc. Natl. Acad. Sci. U.S.A.  2004, 101: 4041 - 4046.  Crystal structure of E. coli RlmAI: Implications for understanding 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site. (pdf) PMC384692
  121. Liu, G.; Sukumaran, D.K.; Xu, D.; Chiang, Y.; Acton, T.B.Goldsmith- Fischman, S.; Honig, B.; Montelione, G.T.; 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. (pdf)
  122. Herve Du Penhoat, C.; Atreya, H.S.; Shen Y.; Liu, G.; Acton, T.B.; Xiao, R.; Li, Z.; Murray, D.; Montelione, G.T.; 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. (pdf) PMC2286747
  123. Xu, D.; Liu, G.; Xiao, R.; Acton, T.; Goldsmith-Fischman, S.; Honig, B.; Montelione, G.T.; 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. (pdf)
  124. Forouhar, F.; Lee, I-S.; Benach, J.; Kulkarni, K.; Xiao, R.; Acton, T.B.; Montelione, G.T.; 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). (pdf)
  125. Makokha, M.; Huang, Y.J.; Montelione, G.T.; Edison, A.S.; Barbar, E.  Protein Science  2004, 13: 727 - 734.  The solution structure of the pH-induced monomer of dynein light-chain LC8 from Drosophila. (pdf) PMC2286742
  126. Everett, J.K.; Acton, T.B.; Montelione, G.T.  J. Struct. Funct. Genomics  2004, 5: 13 - 21.  Primer Prim'ər: A web based server for automated primer design. (pdf)
  127. Adams, M.; Joachimiak, A.; Kim, R.; Montelione, G.T.; 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). (pdf)
  128. Wunderlich, Z.; Acton, T.B.; Liu, J.; Kornhaber, G.; Everett, J.; Carter, P.; Lan, N.; Echols, N.; Gerstein, M.; Rost, B.; Montelione, G.T.  PROTEINS: Struct. Funct. Bioinformatics  2004, 56: 181 - 187.  The protein target list of the Northeast Structural Genomics Consortium. (pdf)
  129. Shen, Y.; Atreya, H.S.; Xiao, R.; Acton, T.B.; Shastry, R.; Ma, L.; Montelione, G.T.; Szyperski, T.  J. Biomol. NMR 2004, 29: 549 – 550.  Resonance assignments for the 18kDa protein CC1736 from Caulobacter crescentus. (pdf)
  130. Liu, J.; Hegyi, H.; Acton, T.B.; Montelione, G.T.; Rost, B.   PROTEINS: Struct. Funct. Bioinformatics 2004, 56: 188 - 200.  Automatic target selection for structural genomics on eukaryotes. (pdf)
  131. Qing, G; Ma, L.-C.; Khorchid, A; Swapna, G. V. T.;  Mal, T.K.; Takayama, M.M.; Xia, B.; Phadtare, S.; Ke, H.; Acton, T.; Montelione, G.T.; Ikura, M.; Inouye, M.   Nature Biotechnology 2004, 22: 877 - 882. Cold-shock induced high-yield protein production in Escherichia coli. (pdf) suppl. material (pdf)
  132. Baran, M.C.; Huang, Y.J.; Moseley, H.N.; Montelione, G.T.  Chemical Reviews  2004, 104: 3451 - 3556.  Automated analysis of protein NMR assignments and structures. (pdf)
  133. Moseley, H.N.B.; Riaz, N.; Aramini, J.M.; Szyperski, T.; Montelione,  G.T.  J. Magn. Reson. 2004, 170: 263-277.  A generalized approach to automated NMR peak list editing: application to reduced dimensionality triple resonance spectra. (pdf)
  134. Powers. R.; Acton, T.B.; Chiang, Y.; Rajan, P.K.; Cort, J.R.; Kennedy, M.A.; Liu, J.; Ma, L.-C.; Rost, B.; Montelione, G.T.  J. Biomol. NMR  2004, 30: 107-108.  1H, 13C, and 15N assignments for the Archaeglobus fulgidis protein AF2095. (pdf)
  135. Ramelot, T.A.; Cort, J.R.; Goldsmith-Fischman,S.; Kornhaber, G.J.  Xiao, R.; Shastry, R.; Acton, T.B.; Honig, B.; Montelione, G.T.; Kennedy, M.A.  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. (pdf)
  136. Goldsmith-Fischman, S.; Kuzin, A.; Edstrom, W.C.; Benach, J.; Shastry, R.; Xiao, R.; Acton, T.B.; Honig, B.; Montelione, G.T.; Hunt, J.F. 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. (pdf)
  137. Huang, Y.J.; Moseley, H.N.B.; Baran, M.C.; Arrowsmith, C.; Powers, R.; Tejero, R.; Szyperski, T.; Montelione, G.T. Meth. Enzymology 2005, 394: 111 - 141. An integrated platform for automated analysis of protein NMR structures. (pdf)
  138. Acton, T.B.; Gunsalus, K.C.; Xiao, R.; Ma, L-C.; Aramini, J.M.; Baran, M.C.; Chiang, Y-W.; Climent, T.; Cooper, B.; Denissova, N.; Douglas, S.M; Everett, J.K.; Ho, C.K.; Macapagal, D.; Rajan, P.K.; Shastry, R.; Shih, L-Y.; Swapna, G.V.T.; Wilson, M.; Wu, M.; Gerstein, M.; Inouye, M.; Hunt, J.F.; Montelione, G.T. Meth. Enzymology 2005, 394: 210 - 243. Robotic cloning and protein production platform of the Northeast Structural Genomics Consortium. (pdf)
  139. Shen, Y.; Goldsmith-Fischman, S.; Atreya, H.S.; Acton, T.B.; Ma, L-C.; Xiao, R.; Honig, B.; Montelione, G.T.; 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. (pdf)
  140. Snyder, D.A.;  Montelione, G.T.  PROTEINS: Struct. Funct. Bioinformatics 2005, 59: 673 – 686.  Clustering algorithms for identifying core atom sets and for assessing the precision of protein structure ensembles. (pdf)
  141. Huang, Y.J.; Powers, R.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  142. Liu, G.; Li, Z.; Chiang, Y.; Acton, T.B.; Montelione, G.T.; 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. (pdf) PMC2253389
  143. Forouhar, F.; Yang, Y.; Kumar, D.; Chen, Y.; Fridman, E.; Park, S.W.; Chiang, Y.; Acton, T.B.; Montelione, G.T.; Pichersky, E.; Klessig, D.F.; Tong, L. Proc. Natl. Acad. Sci. U.S.A 2005, 102: 1773 – 1778. Structure and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity. (pdf) suppl. material (pdf) PMC547883
  144. Liu, G.; Shen, Y.; Atreya, H.S.; Parish, D.; Shao, Y.; Sukumaran, D.K.; Xiao, R.; Yee, A.; Lemak, A.; Bhattacharya, A.; Acton, T.B.; Arrowsmith, C.H.; Montelione, G.T.; Szyperski, T.  Proc. Natl. Acad. Sci. U.S.A.  2005, 102: 10487 – 10492.  NMR data collection and analysis protocol for high-throughput protein structure determination. (pdf) suppl. material (pdf) PMC1180791
  145. Douglas, S.M.; Montelione, G.T.; Gerstein, M.  Genome Biology 2005, 6:R80.  PubNet: A flexible system for visualizing literature-derived networks. (pdf) PMC1242215
  146. Huang, Y-J.; Tejero, R.; Powers, R.; Montelione, G.T. PROTEINS: Struct. Funct. Bioinformatics 2006 62: 587 - 603. A topology- constrained distance network algorithm for protein structure determination from NOESY data. (pdf) suppl. material (pdf)
  147. Snyder, D.A.; Bhattacharya, A.; Huang, Y.J.; Montelione, G.T. PROTEINS: Struct. Funct. Bioinformatics 2005, 59: 655 - 661. Assessing precision and accuracy of protein structures derived from NMR data. (pdf) suppl. material (pdf)
  148. Snyder, D.A.; Chen, Y.; Denissova, N.G.; Acton, T.; Aramini, J.M.; Ciano, M.; Karlin, R.; Liu, J.; Manor, P.; Rajan, P.A.; Rossi, P.; Swapna, G.V.T.; Xiao, R.; Rost, B.; Hunt, J.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  149. Benach, J.; Edstrom, W.C.; Lee, I.; Das, K.; Cooper, B.; Xiao, R.; Liu, J.; Rost, B.; Acton, T.B.; Montelione, G.T.; Hunt, J.F. 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. (pdf)
  150. Rossi, P; Ramelot, T.; Xiao, R.; Ho, C.K.; Ma, L.; Acton, T.B.; Kennedy, M.A.; Montelione, G.T. J. Biomol. NMR 2005, 33: 197. 1H, 13C, 15N resonance assignments for the protein coded by gene locus BB0938 of Bordetella bronchiseptica. (pdf)
  151. Aramini, J. M.; Swapna, G.V.T.; Huang, Y.J.; Rajan, P.K.; Xiao, R.; Shastry, R.; Acton, T.B.; Cort, J.R.; Kennedy, M.A.; Montelione, G.T. 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.(pdf)
  152. Liu, G.; Aramini, J.; Atreya, H.S.; Eletsky, A.; Xiao, R.; Acton, T.B.; Ma, L-C.; Montelione, G.T., Szyperski, T. J. Biomol. NMR 2005, 32: 261. Letter to the Editor: GFT NMR based resonance assignment for the 21 kDa human protein UFC1. (pdf) suppl. material (pdf)
  153. Forouhar, F.; Lee, I.-S.; Vujcic, J.; Vujcic, S.; Shen, J.; Vorobiev, S.M.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Porter, C.W.; 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). (pdf)
  154. Bachhawat, P.; Swapna, G.V.T.; Montelione, G.T.; Stock, A.M. Structure. 2005, 13: 1353 - 1363. Mechanism of activation for transcription factor PhoB suggested by different modes of dimerization in the inactive and active states. (pdf) PMC3685586
  155. Powers, R.; Mirkovic, N.; Goldsmith-Fischman, S.; Acton, T.B.; Chiang, Y.; Huang, Y.J.; Ma, L.; Rajan, R.K.; Cort, J.R.; Kennedy, M.A.; Liu, J.; Rost, B.; Honig, B.; Murray, D.; Montelione, G.T. 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. (pdf) PMC2253226
  156. Huang, Y.J.; Montelione, G.T. Nature 2005, 438: 36 - 37. News and Views: Proteins flex to function. (pdf)
  157. Liu, G.; Shen, Y.; Xiao, R.; Acton, T.; Ma, L.; Joachimiak, A.; Montelione, G.T.; 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. (pdf)
  158. Baran, M.; Moseley, H.N.B.; Aramini, J.M.; Bayro, M.J.; Monleon, D.; Locke, J.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  159. Forouhar. F.; Hussain, M.; Farid, R.; Benach, J.; Abashidze, M.; Edstrom, W.C.; Vorobiev, S.M.; Xiao, R.; Acton, T.B.; Fu, Z.; Kim, J.; Miziorko, H.M.; Montelione, G.T.; Hunt, J.F. 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. (pdf)
  160. Kornhaber, G.J.; Snyder, D.; Moseley, H.N.B.; Montelione, G.T. J. Biomol. NMR 2006, 34: 259 - 269. Identification of zinc-ligated cysteine residues based on 13Cα and 13Cβ chemical shift data. (pdf)
  161. Berman, H.M.; Burley, S.K.; Chiu, W.; Sali, A.; Adzhubei, A.; Bourne, P.E.; Bryant, S.H.; Dunbrack, Jr., R.L.; 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 2006, 14: 1211 - 1217. Outcome of a workshop on archiving structural models of biological macromolecules. (pdf)
  162. Greenfield, N.J.; Huang, Y.J.; Swapna, G.V.T.; Bhattacharya, A.; Rapp, B.; Singh, A.; Montelione, G.T.; Hitchcock-DeGregori, S.E. J. Mol. Biol. 2006, 364: 80 - 96. Solution NMR structure of the junction between tropomyosin molecules: Implications for actin binding and regulation. (pdf) suppl. material (pdf)
  163. Mercier, K.A.; Baran, M.; Ramanathan, V.; Revesz, P.; Xiao, R.; Montelione, G.T.; Powers, R. J. Am. Chem. Soc. 2006, 128: 15292 - 15299. FAST-NMR – Functional Annotation Screening Technology using NMR spectroscopy. (pdf) PMC2529462
  164. Bhattacharya, A.; Tejero, R.; Montelione, G.T. PROTEINS: Struct. Funct. Bioinformatics 2007, 66: 778 - 795. Evaluating protein structures determined by structural genomics consortia. (pdf)
  165. Forouhar, F.; Anderson, J.L.; Mowat, C.G.; Vorobiev, S.M.; Hussain, A.; Abashidze, M.; Bruckmann, C.; Thackray, S.J.; Seetharaman, J.; Tucker, T.; Xiao, R.; Ma, L.; Zhao, L.; Acton, T.B.; Montelione, G.T.; Chapman. S.K.; Tong, L. Proc. Natl. Acad. Sci. U.S.A. 2007, 104: 473 - 478. Molecular insights into substrate recognition and catalysis by tryptophan 2,3- dioxygenase. (pdf) suppl. material (pdf)
  166. Vorobiev, S.M.; Neely, H.; Seetharaman, J.; Ma, L.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Tong, L. Protein Science 2007, 16: 535 - 538. Crystal structure of AGR_C_4470p from Agrobacterium tumefaciens. (pdf) PMC2203313
  167. Singarapu, K.K.; Liu, G.; Xiao, R.; Bertonati, C.; Honig, B.; Montelione, G. T.; Szyperski T. PROTEINS: Struct. Funct. Bioinformatics. 2007, 67: 501 - 504. NMR structure of protein yjbR from Escherichia coli reveals ‘double-wing’ DNA binding motif. (pdf)
  168. Aramini, J.; Rossi, P.; Anklin, C.; Xiao, R.; Montelione, G.T. Nature Methods 2007, 4: 491 - 493. Microgram scale protein structure determination by NMR. (pdf) suppl. material (pdf)
  169. Yin, C.; Khan, J.A.; Swapna, G.V.T.; Ertekin, A.; Krug, R.M.; Tong, L.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  170. Aramini, J; Y. Huang, Y.J.; Swapna, G.V.T.; Cort, J.R.; Rajan, P.K.; Xiao, R.; Shastry, R.; Acton, T.B.; Liu, J.; Rost, B.; Kennedy, M.A.; Montelione, G.T. 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. (pdf) suppl. material (pdf)
  171. Liu, J.; Montelione, G. T.; Rost, B. Nature Biotech. 2007, 25: 849 - 851. Novel leverage of structural genomics. (pdf) suppl. material (pdf)
  172. Andrec, M.; Snyder, D. A.; Zhou, Z.; Young, J.; Montelione, G. T.; 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. (pdf) suppl. material (pdf)
  173. Lu, L.J.; Sboner, A.; Huang, Y. J.; Lu, H.X.; Gianoulis; T.A.; Yip, K.Y.; Kim, P.M.; Montelione, G.T.; Gerstein, M.B. TIBS 2007, 32: 320 - 331. Comparing classical pathways and modern networks: Towards the development of an edge ontology. (pdf) suppl. material (pdf)
  174. Bhattacharya, A.; Wunderlich, Z.; Monleon, D.; Tejero, R.; Montelione, G.T. PROTEINS: Struct. Funct. Bioinformatics 2007, 70: 105 - 118. Assessing model accuracy using the homology modeling automatically (HOMA) software. (pdf) suppl. material (pdf)
  175. 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, T.B.; Pichersky, E.; Klessig, D.F.; Porter, C.W.; Montelione, G.T.; Tong, L. J. Struct. Funct. Genomics 2007, 8: 37 - 44. Functional insights from structural genomics. (pdf)
  176. Benach, J.; Wang, L.; Chen, Y.; Ho, C.K.; Lee, S.; Seetharaman, J.; Xiao, R.; Acton, T.B.; Montelione, G.T.; 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. (pdf)
  177. Burley, S.K.; Joachimiak, A.; Montelione, G.T.; Wilson, I.A. Structure 2008, 16: 5 - 11. Contributions to the NIH-NIGMS Protein Structure Initiative from the PSI production centers. (pdf) PMC2678832
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  242. Karanicolas, J.; Corn, J.E.; Chen, I; Joachimiak, L.A.; Dym, O.; Peck, S.H.; Albeck, S.; Unger, T.; Hu, W.; Liu, G.; Delbecq, S.; Montelione, G.T.; Spiegel, C.P.; Liu, D.R.; Baker, D. Molecular Cell 2011, 42: 250 – 260. A de novo protein binding pair by computational design and directed evolution. (pdf) suppl. material (pdf) PMC3102007
  243. Grant, T.; Luft, J.R.; Wolfley, J.R.; Tsuruta, H.; Martel, A.; Montelione, G.T.; Snell, E. Biopolymers 2011, 95: 517 - 530. Small angle x-ray scattering as a complementary tool for high-throughput structural studies. (pdf) PMC3124082
  244. Sgourakis, N.G.; Lange, O.F.; DiMaio, F.; André, I.; Fitzkee, N.C.; Rossi, P.; Montelione, G.T.; Bax, A.; Baker, D. J. Am. Chem. Soc. 2011, 133: 6288 - 6298. Determination of the structures of symmetric protein oligomers from NMR chemical shifts and residual dipolar couplings. (pdf) suppl. material (pdf) PMC3080108
  245. Barb, A.W.; Cort, J.R.; Seetharaman, J.; Lew, S.; Lee, H.W.; Acton, T.; Xiao, R.; Kennedy, M.A.; Tong, L.; Montelione, G.T.; Prestegard, J.H. Protein Science 2011, 20: 396 - 405. Structures of domains I and IV from YbbR are representative of a widely distributed protein family. (pdf) PMC3048424
  246. Chu, C.; Das, K.; Tyminski, J.R.; Bauman, J.D.; Guan, R.; Qiu, W.; Montelione, G.T.; Arnold, E.; Shatkin, A.J. Proc. Natl. Acad. Sci. U.S.A. 2011, 108: 10104 - 10108. Structure of the guanylyltransferase domain of human mRNA capping enzyme. (pdf) suppl. material (pdf) PMC3121809
  247. Mao, B.; Guan, R.; Montelione, G.T. Structure 2011, 19: 757 - 766. Improved technologies now routinely provide protein NMR structures useful for molecular replacement. (pdf) suppl. material (pdf) PMC3612016
  248. Aramini, J. M.; Ma, L.-C.; Zhou, L.; Schauder, C. M.; Hamilton, K.; Amer, B.R.; Mack, T. R.; Lee, H.-W.; Ciccosanti, C. T.; Zhao, L.; Xiao, R.; Krug, R. M.; Montelione, G. T. 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. (pdf) suppl. material PMC3138300
  249. Aramini, J.M.; Rossi, P.; Fischer, M.; Xiao, R.; Acton, T.B.; Montelione, G.T. PROTEINS: Struc. Funct. Bioinformatics 2011, 79: 2988 - 2991. Solution NMR structure of VF0530 from Vibrio fischeri reveals a nucleic-acid binding function. (pdf) suppl. material (pdf) PMC3172673
  250. Guan, R.; Ma, L.-C.; Leonard, P.G.; Amer, B.R.; Sridharan, H.; Zhao, C.; Krug, R.M.; Montelione, G.T. Proc. Natl. Acad. Sci. U.S.A. 2011, 108: 13468 - 13473. Structural basis for the sequence-specific recognition of human ISG15 by the NS1 protein of influenza B virus. (pdf) suppl. material (pdf) PMC3158222
  251. Eletsky, A.; Ruyechan, W.T.; Xiao, R.; Acton, T.B.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC3609412
  252. Forouhar, F.; Saadat, N.; Hussain, M.; Seetharaman, J.; Lee, I.; Janjua, H.; Xiao, R.; Shastry, R.; Acton, T.; Montelione, G.T.; Tong, L. Acta Cryst. F 2011, 67: 1323 - 1327. A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding. (pdf) PMC3212444
  253. Lowery, J.; Szul, T.; Seetharaman, J.; Xiaoying, J.; Su, M.; Forouhar, F.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Lin, H.; Wright, J.W.; Lee, E.; Holloway, Z.G.; Randazzo, P.A.; 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. (pdf) suppl. material. (pdf) PMC3196086
  254. Yang, Y.; Ramelot, T.A.; Cort, J.R.; Wang, D.; Ciccosanti, C.; Jiang, M.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC3697068
  255. 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: Struc. Funct. Bioinformatics 2011, 79: S10: 6 - 20. Target highlights in CASP9: experimental target structures for the critical assessment of techniques from protein structure prediction. (pdf) PMC3692002
  256. Feldmann, E.A.; Ramelot, T.A.; Yang, Y.; Xiao, R.; Acton, T.B.; Everett, J.K.; Montelione, G.T.; Kennedy, M.A. PROTEINS: Struc. 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. (pdf) suppl. material (pdf)PCM3315617
  257. Thompson, J.; Sgourakis, N.G.; 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. (pdf) suppl. material (pdf) PMC3382498
  258. Rosato, A.; Aramini, J.M.; Arrowsmith, C.; Bagaria, A.; Baker, D.; Cavalli, A.; Doreleijers, J.F.;Eletsky, A.; Giachetti, A.; Guerry, P.; Gutmanas, A.; Güntert, P.; He, Y.; Herrmann, T.; Huang, Y.J.; Jaravine, V.; Jonker, H.R.A.; Kennedy, M.A.; Lange, O.F.; Liu G.; Malliavan, T.E.; Mani, R.; Mao, B.; Montelione, G.T.; Nilges, M.; Possi, P.; van der Schot, G.; Schwalbe, H.; Szyperski, T.A.; Vendruscolo, M.; Vernon, R.; Vranken, W.F.; de Vries, S.; Vuister, G.W.; Wu, B.; Yang, Y.; Bonvin, A.M.J.J. Structure 2012, 20: 227 - 236. Blind testing of routine, fully automated determination of protein structures from NMR data. (pdf) suppl. material 1 (pdf) suppl. material 2 (xls) PMC3609704
  259. Ramelot, T.A.; Yang, Y.; Xiao, R.; Acton, T.B.; Everett, J.K.; Montelione, G.T.; Kennedy, M.A. PROTEINS: Struct. Funct.Bioinformatics 2012, 2: 667 - 670. Solution NMR structure of BT_0084, a conjugative transposon lipoprotein from Bacteroides thetaiotamicron. (pdf) suppl. material (pdf) PMC3766420
  260. Bagaria, A.; Jaravine, V.; Huang, Y.P.; Montelione, G.T.; Güntert, P. Protein Science 2012, 21: 229 - 238. Protein structure validation by generalized linear model root-mean-square deviation prediction. (pdf) suppl. material (pdf) PMC3324767
  261. Kobayashi, H.; Swapna, G.V.T.; Wu, K-P; Afinogenova, Y.; Conover, K.; Mao, B.; Montelione, G.T.; 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. (pdf) suppl. material 1 (docx) suppl. material 2 (docx) PMC4117381
  262. Eletsky, A.; Petrey, D.; Zhang, Q.C.; Lee, H.-W.; Acton, T.; Xiao, R.; Everett, J.; Prestegard, J.; Honig, B.; Montelione, G.T.; Szyperski, T. J. Struct. Funct. Genomics 2012, 13: 1 - 7. Solution NMR structures reveal unique homodimer formation by a winged helix-turn-helix motif and provide first structures for protein domain family PF10771. (pdf) suppl. material (doc) PMC3654790
  263. Eletsky, A.; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.T.; Szyperski, T. J. Struct. Funct. Genomics 2012, 13: 9 - 14. Solution NMR structures reveal a distinct architecture and provide first structures for protein domain family PF04536. (pdf) suppl. material (doc) PMC360422
  264. Wu, Y.; Punta, M.; Xiao, R.; Acton, T.; Sathyamoorthy, B.; Dey, F.; Fischer, M.; Skerra, A.; Rost, B.; Montelione, G.T.; 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. (pdf) PMC3367933
  265. Ertekin, A.; Aramini, J.M.; Rossi, P.; Leonard, P.G.; Janjua, H.; Xiao, R.; Maglaqui, M.; Lee, H.-W.; Prestegard, J.H.; Montelione, G.T. 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. (pdf) suppl. material (pdf) PMC3351331
  266. Huang, Y.; Rosato, A.; Singh, G.; Montelione, G.T. Nucleic Acids Research 2012, 40: W542 - 546. RPF – A quality assessment tool for protein NMR structures. (pdf) PMC3394279
  267. Snyder, D.; Aramini, J.M.; Yu, B.; Huang, Y.; Xiao, R.; Cort, J.; Shastry, R.; Ma, L.-M.; Liu, J.; Rost, B.; Action, T.; Kennedy, M.; Montelione, G.T. PROTEINS: Struc. Funct. Genomics 2012, 80: 1901 – 1906. Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus. (pdf) suppl. material (pdf) PMC3639469
  268. Montelione, G.T. Faculty 1000 Commentary 2012, 4: 7. The Protein Structure Initiative: achievements and visions for the future. (pdf) PMC3318194
  269. Lange, O.F.; Rossi, P.; Sgourakis, N.; Song, Y.; Lee, H.-W.; Aramini, J.M.; Ertekin, A.; Xiao, R.; Acton, T.B.; Montelione, G.T.; 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. (pdf) PMC3390869
  270. Feldmann, E.A.; Seetharaman, J.; Ramelot, T.A.; Lew, S.; Zhao, L.; Hamilton, K.; Ciccosanti, C.; Xiao, R.; Acton, T.B.; Everett, J.K.; Tong, L.; Montelione, G.T.; Kennedy, M.A. J. Struct. Funct. Genomics2012, 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. (pdf) suppl. material (doc) PMC3697073
  271. Vorobiev, S.M.; Neely, H.; Yu, B.; Seetharaman, J.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Hunt, J.F. 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. (pdf) suppl. material (doc) PMC3683829
  272. Swapna, G.V.T.; Rossi, P.; Montelione, A.F.; Benach, J.; Yu, B.; Abashidze, M.; Seetharaman, J.; Xiao, R.; Acton, T.B.; Tong, L.; Montelione, G.T. 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. (pdf) PMC4075964
  273. Aramini, J.M.; Petrey, D.; Lee, D.Y.; Janjua, H.; Xiao, R.; Acton, T.B.; Everett, J.K.; 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. (pdf) suppl. material (pdf) PMC3897273
  274. Aramini, J.M.; Hamilton, K.; Rossi, P.; Ertekin, A.; Lee, H.-W.; Lemak, A.; Wang, H.; Xiao, R.; Acton, T.B.; Everett, J.K.; Montelione, G.T. 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. (pdf) suppl. material (pdf) PMC3366507
  275. Aziz, A.; Hess, J.F.; Budamagunta, M.S.; Voss, J.C.; Kuzin, A.P.; Huang, Y.J.; Xiao, R.; Montelione, G.T.; Fitzgerald, P.G.; Hunt, J.F. 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. (pdf) PMC3436525
  276. Cho, E.J.; Xia, S.; Ma, L.-C.; Robertus, J.; Krug, R.M.; Anslyn, E.V.; Montelione, G.T.; Ellington, A.D. J. Biomol. Screen. 2012, 17: 448 – 459. Identification of influenza virus inhibitors targeting NS1A utilizing fluorescence polarization-based high-throughput assay. (pdf) PMC in process
  277. Ramelot, T.A.; Rossi, P.; Forouhar, F,; Lee, H.-W.; Yang, Y.; Ni, S.; Unser, S.; Lew, S.; Seetharaman, J.; Xiao, R.; Acton, T.B.; Everett, J.K.; Prestegard, J.H.; Hunt, J.F.; Montelione, G.T.; Kennedy, M.A. 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. (pdf) suppl. material (pdf) PMC4104962
  278. Koga, N.; Tatsumi-Koga, R.; Liu, G.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Baker, D. Nature 2012, 491: 222 - 227. Principles for designing ideal protein structures. (pdf) PMC3705962
  279. Kim, D.; Zheng; H.; Huang, Y.J.; Montelione, G.T.; Hunt, J.F. J. Am. Chem. Soc. 2012, 135: 2999 - 3010. ATPase active-site electrostatic interactions control the global conformation of the 100 kDa SecA translocase. (pdf) suppl. material (pdf) PMC4134686
  280. Richter, F.; Blomberg, R.; Khare, S.D.; Kiss, G.; Kuzin, A.P.; Smith, A.J.; Gallaher, J.L.; Pianowski, Z.; Helgeson, R.C.; Grjasnow, A.; Xiao, R.; Seetharaman, J.; Su, M.; Vorobiev, S.; Lew, S.; Forouhar, F.; Kornhaber, G.J.; Hunt, J.F.; Montelione, G.T.; Tong, L.; Houk, K.N.; Hilvert, D.; Baker, D. J. Am. Chem. Soc. 2012, 135: 16197 - 16206. Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. (pdf) suppl. material (pdf) PMC4104585
  281. Eletsky, A.; Jeong, M-Y.; Kim, H.; Lee, H-W.; Xiao, R.; Pagliarini, D.J.; Prestegard, J.H.; Winge, D.R.; Montelione, G.T.; Szyperski, T. Biochemistry 2012, 51: 8475 - 8477. Solution NMR structure of yeast succinate dehydrogenase flavinylation factor Sdh5 reveals a putative Sdh1 binding site. (pdf) suppl. material (pdf) PMC3667956
  282. Rossi, P.; Barbieri, C.M.; Aramini, J.M.; Bini, E.; Xiao,R.; Acton, T.B.; Montelione, G.T. 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. (pdf) suppl. material (pdf) PMC3575825
  283. Mills, J.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC3637686
  284. Bjelic, S.; Nivón, L.G.; Celebi-Ölçüm, N.; Kiss, G.; Rosewall, C.F.; Lovick, H.M.; Ingalls, E.L.; Gallaher, J.L.; Seetharaman, J.; Lew, S.; Montelione, G.T.; 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. (pdf) suppl. material (doc) PMC3647451
  285. Forouhar.; Arragain, S.; Atta, M.; Gambarelli, S.; Mouesca, J.M.; Hussain, M.; Xiao, R.; Kieffer-Jaquinod, S.; Seetharaman, J.; Acton, T.B.; Montelione, G.T.; Mulliez, E.; Hunt, J.F.; Fontecave, M. Nature Chemical Biology 2013, 9: 333 – 338. Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases. (pdf) suppl. material (pdf) PMC4118486
  286. Froese, D.S.; Forouhar, F.; Tran, T.H.; Vollmar, M.; Kim, Y.; Lew, S.; Neely, H.; Seetharaman, J.; Shen, Y.; Xiao, R.; Acton, T.B.; Everett, J.K.; Cannone, G.; Puranik, S.; Savitsky, P.; Krojer, T.; Pilka, E.S.; Kiyani, W.; Lee, W.H.; Marsden, B.D.; von Delft, F.; Allerston, C.K.; Spagnolo, L.; Gileadi, O.; Montelione, G.T.; Oppermann, U.; Yue, W.W.; Tong, L. Structure 2013, 21: 1182 - 1192. Crystal structures of malonyl-CoA decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. (pdf) suppl. material (pdf) PMC3701320
  287. 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. (pdf) suppl. material (pdf) PMC3818146
  288. Tejero, R.; Snyder, D.; Mao, B.; Aramini, J.M.; Montelione, G.T.; J. Biomol. NMR 2013, 56: 337 - 351. PDBStat: A universal restraint converter and restraint analysis software package for protein NMR. (pdf) suppl. material (pdf) PMC3932191
  289. Rosato, A.; Tejero, R.; Montelione, G.T. Current Opinions in Structural Biology 2013, 23: 715 - 724. Quality assessment of protein NMR structures. (pdf) PMC4110634
  290. Montelione, G.T.; Nilges, M.; Bax, A.; Güntert, P.; Herrmann, T.; Richardso J.S.; Schwieters, C.; Vranken, W.F.; Vuister, G.W.; Wishart, D.S.; Berman, H. Kleywegt, G.J.; Markley, J.L. Structure 2013, 21: 1563 – 1570. Recommendations of the wwPDB NMR Validation Task Force. (pdf) PMC3884077
  291. Neklesa, T.K.; Noblin, D.J.; Kuzin, A.P.; Lew, S.; Seetharaman, J.; Acton, T.B.; Kornhaber, G.; Xiao, R.; Montelione, G.T.; Tong, L.; Crews, C.M. ACS Chem. Biol. 2013, 8: 2293 - 2300. A bidirectional system for the dynamic small molecule control of intracellular fusion proteins. (pdf) suppl. material (pdf) PMC4113957
  292. Pulavarti, S.; Eletsky, A.; Lee, H-W.; Acton, T.B.; Xiao, R.; Everett, J.K.; Prestegard, J.H.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC3844015
  293. Ramelot, T.A.: Yang, Y.; Sahu, I.D.; Lee, H.W.; Xiao, R.; Lorigan, G.A.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC4043124
  294. Xu, S.Y.; Kuzin, A.P.; Seetharaman, J.; Gutjahr, A.; Chan, S.H.; Chen, Y.; Xiao, R.; Acton, T.B.; Montelione, G.T.; Tong, L. PLoS One 2013, 8:e72114. Structure determination and biochemical characterization of a putative HNH endonuclease from Geobacter metallireducens GS-15. (pdf) suppl. material (pdf) PMC3765158
  295. 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, R.J.; Tong, L.; Moremen, K.W. J. Biol. Chem. 2013, 288: 34680 - 34698. Enzymatic basis for N-glycan sialylation: structure of ST6GAL1 reveals conserved and unique features for glycan sialylation. (pdf) suppl. material (pdf) PMC3843080
  296. Pulavarti, S.; He, Y.; Feldmann, E.A.; Eletsky, A.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Kennedy, M.A.; 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. (pdf) suppl. material (pdf) PMC3982801
  297. Kronfel, C.M.; Kuzin, A.P.; Forouhar, F.; Biswas, A.; Su, M.; Lew, S.; Seetharaman, J.; Xiao, R.; Everett, J.K.; Ma, L-C.; Acton, T.B.; Montelione, G.T.; Hunt, J.F.; Paul, C.E.C.; Dragomani, T.M.; M. Nazim Boutaghou, M.N.; Cole, R.B.; Riml, C.; Alvey, R.M.; Bryant, D.A.; Schluchter, W.M. Biochemistry 2013, 52: 8663 - 8676. Structural and biochemical characterization of the bilin lyase CpcS from Thermosynechococcus elongates. (pdf) suppl. material (pdf) PMC3932240
  298. Huang, Y.J.; Acton, T.B.; Montelione, G.T. Methods in Mol. Biol. 2013, 1091: 3 - 16. DisMeta – a meta server for construct design and optimization. (pdf) PMC4115584
  299. Huang, Y.P.; Mao, B.; Aramini, J.; Montelione, G.T. PROTEINS: Struc. Funct. Genomics 2014, 82: Suppl 2: 43 - 56. Assessment of template based protein structure predictions in CASP10. (pdf) suppl. material 1 (pdf) suppl. material 2 (pdf) suppl. material 3 (pdf) suppl. material 4 (pdf) PMC3932189
  300. Taylor, T.; Tai, C-H.; Huang, J.; Block, J.; Bai, H.; Kryshtafovych, A.; Montelione, G.T.; Lee, B. PROTEINS: Struc. Funct. Genomics 2014, 82: Suppl 2: 14 - 25 Definition and classification of evaluation units for CASP10. (pdf) PMC4133092
  301. Snyder, D.A.; Grullon, J.; Huang, Y.J.; Tejero, R.; Montelione, G.T. 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. (pdf) suppl. material (pdf) PMC3932188
  302. Uemura, Y.; Nakagawa, N.; Wakamatsu, T.; Kim, K.; Montelione, G.T.; Hunt, J.F.; 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. (pdf) suppl. material (pdf) PMC4113422
  303. Mao, B.; Tejero, R,; Baker, D.; Montelione, G.T. J. Amer. Chem. Soc. 2014, 136: 1893 - 1906. Protein NMR structures refined with Rosetta have higher accuracy relative to corresponding X-ray crystal structures. (pdf) suppl material (pdf) PMC4129517
  304. Vorobiev, S.; Gensler, Y.; Vahedian-Movahed, H.; Seetharaman, J.; Su, M.; Huang, Y-P.; Xiao, R.; Kornhaber, G.; Montelione, G.T.; Tong, L.; Ebright, R.H.; Nickels, B.E. Structure 2014, 22: 488 - 495. Structure of the DNA-binding and RNA polymerase-binding region of transcription antitermination factor λQ. (pdf) suppl. material (pdf) PMC3951671
  305. 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, G.T.; Tong, L.; Balaram, H. FEBS Lett. 2014, 281: 1613 - 1628. Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila (pdf) suppl. material 1 (pdf) suppl. material 2 (pdf) PMC3982195
  306. Stark, J.L.; Mehla, K.; Chaika, N.; Acton, T.B.; Xiao, R.; Singh, P.K.; Montelione, G.T.; 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. (pdf) PMC3985919
  307. Aramini, J.M.; Hamilton, K.; Ma, L-C.; Swapna, G.V.T.;Leonard, P.G.; Ladbury, J.E.; Krug, R.M.; Montelione, G.T. Structure 2014, 22: 515 – 525. 19F NMR reveals multiple conformations at the dimer interface of the NS1 effector domain from influenza A virus. (pdf) suppl. material (pdf) PMC4110948
  308. Aiyer, S.; Swapna, G.V.T.; Malani, N.; Aramini, J.M.; Schneider, W.M.; Plumb, M.R.; Ghanem, M.; Larue, R.C.; Sharma, A.; Studamire, B.; Kvaratskhelia, M.; Bushman, F.D.; Montelione, G.T.; Roth, M.J. Nucleic Acids Research 2014, 42: 5917 - 5928. Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction (pdf) suppl. material (pdf) PMC4027182
  309. Pulavarti, S.; Eletsky, A.; Huang, Y.J.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; 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 (pdf) PMC4194182
  310. Xu, X.; Pulavarti, S.V.; Eletsky, A.; Huang, Y.J.; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC4239167
  311. Sathyamoorthy, B,; Parish, D.M.; Montelione, G.T.; Xiao, R.; Szyperski, T. Chemphyschem. 2014, 15: 1872 - 1879. Spatially selective heteronuclear multiple-quantum coherence spectroscopy for biomolecular NMR studies. (pdf) suppl. material (pdf) PMC4121990
  312. Bruno, E.B.; Ruby, A.M.; Luft, J.R.; Grant, T.D.; Seetharaman, J.; Montelione, G.T.; Hunt, J.F.; Snell, E.H. 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. (pdf) suppl. material (pdf) PMC4074061
  313. Pulavarti, S.V.; Huang, Y.J.; Pederson, K.; Acton, T.B.; Xiao, R.; Everett, J.K.; Prestegard, J.H.; Montelione, G.T.; 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. (pdf) suppl. material (pdf) PMC4945113
  314. Eletsky, A.; Michalska, K.; Houliston, S.; Zhang, Q.; Daily, M.D.; Xu, X.; Cui, H.; Yee, A.; Lemak, A.; Wu, B.; Garcia, M.; Burnet, M.C.; Meyer, K.M.; Aryal, U.K.; Sanchez, O.; Ansong, C.; Xiao, R.; Acton, T.B.; Adkins, J.N.; Montelione, G.T.; Joachimiak, A.; Arrowsmith, C.H.; Savchenko, A.; Szyperski, T.; Cort, J.R. PLoS One 2014, 9: e101787. Structural and functional characterization of DUF1471 domains of salmonella. (pdf) suppl. material (pdf) PMC4092069
  315. 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. (pdf) suppl. material (pdf) PMC4201346
  316. Yang, Y.; Ramelot, T.A.; Lee, H-W.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Prestegard, J.H.; 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. (pdf) PMC4527548
  317. Yang, Y.; Ramelot, T.A.; Lee, H-W.; Xiao, R.;Everett, J.K.; Montelione, G.T.; Prestegard, J.H.; 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. (pdf) PMC4928572
  318. 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. (pdf)
  319. Parmeggiani, F.; Huang, P-S.; Vorobiev, S.; Xiao, R.; Park, K.; Caprari, S.; Su, M.; Jayaraman, S.; Mao, L.; Janjua, H.; Montelione, G.T.; Hunt, J.F.; Baker, D. J. Mol. Biol. 2015, 427: 563 - 575. Beyond consensus: a general computational approach for repeat protein design. (pdf) suppl. material 1 (pdf) suppl. material 2 (zip) PMC4303030
  320. Rossi, P.; Shi, L.; Liu, G.; Barbieri, C.M.; Lee, H.-W.; Grant, T.D.; Luft, J.R.; Xiao, R.; Acton, T.B.; Snell, E.H.; Montelione, G.T.; Baker, D.; Lange, O.F.; Sgourakis, N.G. PROTEINS: Struc. Funct. Bioinformatics 2015, 83: 309 - 317. A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta. (pdf) suppl. material (pdf) PMC5061451
  321. Luft, J.R.; Wolfley, J.R.; Franks, E.C.; Lauricella, A.M.; Gualtieri, E.J.; Snell, E.H.; Xiao, R.; Everett, J.K.; Montelione, G.T. Struct. Dyn. 2015, 2: 041710. The detection and subsequent volume optimization of biological nanocrystals. (pdf) PMC4711624
  322. Aiyer, S.; Rossi, P.; Malani, N.; Schneider, W.M.; Chanda, A.; Bushman, F.D.; Montelione, G.T.; Roth, M.J. Nucleic Acids Research 2015, 43: 5647 - 5663. Structural and sequencing analysis of local target DNA recognition by MLV integrase. (pdf) PMC4477651
  323. Sali, A.; Berman, H.M.; Schwede, T.; Trewhella, J.; Kleywegt, G.; Burley, S.K.; Markley, J.; Nakamura, H.; Adams, P.; Bonvin, A.M.J.J.; Chiu, W.; Dal Peraro, M.; Di Maio, F.; Ferrin, T.E.; Grünewald, K.; Gutmanas, A.; Henderson, R.; Hummer, G.; Iwasaki, K.; Johnson, G.; Lawson, K.L.; Meiler, J.; Marti-Renom, M.A.; Montelione, G.T.; Nilges, M.; Nussinov, R.; Patwardhan, A.; Rappsilber, J.; Read, R.J.; Saibil, H.; Schröder, G.F.; Schwieters, C.; Seidel, C.A.M.; Svergun, D.; Topf, M.; Ulrich, E.L.; Velankar, S.; Westbrook, J.D. Structure 2015, 23: 1156 - 1167. Outcome of the first wwPDB hybrid / integrative methods task force workshop. (pdf) PMC4933300
  324. Gutmanas, A.; Adams, P.D.; Bardiaux, B.; Berman, H.M.; Case, D.A.; Fogh, R.H.; Güntert, P.; Hendrickx, P.M.S.; Herrmann, T.; Kleywegt, G.J.; Kobayashi, N.; Lange, O.F.; Markley, J.L.; Montelione, G.T.; Nilges, M.; Ragan, T.J.; Schwieters, C.D.; Tejero, R.; Ulrich, E.; Velankar, S.; Vranken, W.F.; Wedell, J.R.; Westbrook, J.; Wishart, D.S.; Vuister, G.W. Nature Struct. Mol. Biol. 2015, 22: 433 - 434. NMR Exchange Format: a unified and open standard for representation of NMR restraint data. (pdf) PMC4546829
  325. Ragan, T.J.; Fogh, R.H.; Tejero, R.; Vranken, W.; Montelione, G.T.; Rosato, A.; Vuister, G.W. J. Biomol. NMR 2015, 62: 527 - 540. Analysis of the structural quality of the CASD-NMR 2013 entries. (pdf) suppl. material 1 (pdf) suppl. material 2 (pdf) PMC4569653
  326. Huang, Y.P.; Mao, B.; Xu, F.; Montelione, G.T. J. Biomol. NMR 2015, 62: 439 - 451. Guiding automated NMR structure determination using a global optimization metric, the NMR DP score. (pdf) PMC4943320
  327. Rosato, A.; Vranken, W.; Fogh, R.H.; Ragan, T.J.; Tejero, R.; Pederson, K.; Lee, H.-W.; Prestegard, J.; Yee, A.; Wu, B.; Lemak, A.; Houliston, S.; Arrowsmith, C.; Kennedy, M.; Acton, T.B.; Liu, G.; Xiao, R.; Montelione, G.T.; Vuister, G.W. J. Biomol. NMR 2015, 62: 413 - 424. The second round of critical assessment of automated structure determination of proteins by NMR: CASD-NMR-2013. (pdf) PMC4569658
  328. Tang, Y.; Huang, Y.P.; Hopf, T.A.; Sanders, C.; Marks, D.S.; Montelione, G.T. Nature Methods 2015, 12: 751 - 754. Protein structure determination by combining sparse NMR spectroscopy data with evolutionary couplings. (pdf) suppl. material (pdf) PMC4521990
  329. Aramini, J.M.; Vorobiev, S.M.; Tuberty, L.M.; Janjua, H.; Campbell, E.T.; Seethraman, J.; Su, M.; Huang, Y.P.; Acton, T.B.; Xiao, R.; Tong, L.; Montelione, G.T. Structure 2015, 23: 1 - 12. The RAS- binding domain of human BRAF protein serine/threonine kinase exhibits allosteric conformational changes upon binding HRAS. (pdf) suppl. material 1 (pdf) suppl. material 2 (pdf) PMC4963008
  330. Choi, H.W.; Tian, M.; Song, F.; Venereau, E.; Preti, A.; Park, S.-W.; Hamilton, K.; Swapna, G.V.T.; Manohar, M.; Moreau, M.; Agresti, A.; Gorzanelli, A.; De Marchis, F.; Wang, H.; Antonyak, M.; Micikas, R.J.; Gentile, D.R.; Cerione, R.A.; Schroeder, F.C.; Montelione, G.T.; Bianchi, M.E.;Klessig, D.F. Molecular Medicine 2015, 21: 526 - 535. Aspirin's active metabolite salicylic acid targets High Mobility 1 Group Box 1 (HMGB1) to modulate inflammatory responses. (pdf) PMC4607614
  331. Everett, J.K.; Tejero, R.; Murthy, S.B.K.; Acton, T.B.; Aramini, J.M.;Baran, M.C.; Benach, J.; Cort, J.R.; Eletsky, A.; Forouhar, F.; Guan, R.; Kuzin, A.P.; Lee, H.-W.; Liu, G.; Mani, R.; Mao, B.; Mills, J.L.; Montelione, A.F.; Pederson, K.; Powers, R.; Ramelot, T.; Rossi, P.; Seetharaman, J.; Snyder, D.; Swapna, G.V.T.; Vorobiev, S.M.; Wu, Y.; Xiao, R.; Yang, Y.; Arrowsmith, C.H.; Hunt, J.F.; Kennedy, M.A.; Prestegard, J.H.; Szyperski, T.; Tong, L.; Montelione, G.T. Protein Science 2015, 25: 30 - 45. A community resource of experimental data for NMR – X-ray crystal structure pairs. (pdf) suppl. material (pdf) PMC4815321
  332. Lin, Y-R.; Koga, N.; Tatsumi-Koga, R.; Liu, G.; Clouser, A.F.; Montelione, G.T.; Baker, D. Proc. Natl. Acad. Sci. U.S.A. 2015, 112: e5478 - 5485. Control over overall shape and size in de novo design proteins. (pdf) suppl. material (pdf) PMC4603489
  333. Wolf, C.; Siegel, J.B.; Tinberg, C.; Camarca, A.; Gianfrani, C.; Paski, S.; Guan, R.; Montelione, G.T.; Baker, D.; Pultz, I.S. J. Amer. Chem. Soc. 2015, 137: 13106 - 13113. Engineering of Kuma030: a gliadin peptidase that rapidly degrades immunogenic gliadin peptides in gastric conditions. (pdf) suppl. material (pdf) PMC4958374
  334. King, C.; Gleixner, J.; Doyle, L.; Kuzin, A.; Hunt, J.F.; Xiao, R.; Montelione, G.T.; Stoddard, B.; Dimaio, F.; Baker, D. eLIFE 2015, 4: e11012. Precise assembly of complex beta sheet topologies from de novo design building blocks. (pdf) suppl. material (pdf) PMC4737653
  335. Boël, G.; Letso, R.; Neely, H.; Price, W.N.; Wong, K.H.; Su, M.; Luff, J.; Valecha, M.; Everett, J.; Acton, T.B.; Xiao, R.; Montelione, G.T.; Aalberts, D.P.; Hunt, J.F. Nature 2016, 529: 358 - 363. Codon influence on protein expression in E. coli correlates to mRNA levels. (pdf) PMC5054687
  336. Boël, G.; Montelione, G.T.; Aalberts, D.P.; Hunt, J.F. Cell Systems 2016, 2: 60 - 64. Principles of Systems Biology, No. 2. (pdf)
  337. Basanta, B.; Kui, B.; Chan, K.; Barth, P.; King, T.; Hinshaw, J.R.; Sosnick, T.R.; Liu, G.; Everett, J.; Xiao, R.; Montelione, G.T.; Baker, D. Protein Science 2016, 25: 1299 - 1307. Introduction of a polar core into the de novo designed protein Top7. (pdf) suppl. material (pdf) PMC4918430
  338. Adams, P.D.; Aertgeerts, K.; Bauer, C.; Bell, J.A.; Berman, H.M.; Bhat, T.N.; Blaney, J.; Bolton, E.; Bricogne, G.; Brown, D.; Burley, S.K.; Case, D.A.; Clark, K.L.; Darden, T.; Emsley, P.; Feher, V.; Feng, Z.; Groom, C.R.; Harris, S.F.; Hendle, J.; Holder, T.; Joachimiak, A.; Kleywegt, G.; Krojer, T.; Marcotrigiano, J.; Mark, A.E.; Markley, J.L.; Miller, M.; Minor, W.; Montelione, G.T.; Murshudov, G.; Nakagawa, A.; Nakamura, H.; Nichols, A.; Nicklaus, M.; Nolte, R.; Padyana, A.K.; Peishoff, C.E.; Pieniazek, S.; Read, R.J.; Shao, C.; Steven 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, J.D.; Williams, P.; Yang, H.; Young, J. Structure 2016, 24: 502 - 508. Outcome of the first wwPDB/CCDC/D3R Ligand Validation Workshop. (pdf) PMC5070601
  339. MacCallum, J.L.; Tang, Y.; Huang, J.; Montelione, G.T. Biophysical Journal 2016, 110: 153a. Automatic protein structure determination from sparse NMR spectroscopy data. (pdf)
  340. Zhang, M.; Yu, X.W.; Swapna, G.V.T.S.; Xiao, R.; Zheng, H.; Sha, C.; Xu, Y.; Montelione, G.T. Microb. Cell Fact. 2016, 15: 123. Efficient production of 2H, 13C, 15N-enriched proteins with native disulfide bonds: Application to the enzyme Rhizopus chinensis lipase. (pdf) PMC494435
  341. Ma, L-C.; Guan, R.; Hamilton, K.; Aramini, J.; Mao, L.; Wang, S.; Krug, R.M.; Montelione, G.T. Structure 2016, 24: 1562 - 1572. A second RNA-binding site in the NS1 protein of influenza B virus. (pdf) suppl. material 1 (pdf) suppl. material 2 (pdf) PMC5014651
  342. Sachleben, J.R.; Adhikari, A.N.; Gawlak, G.; Hoey, R.J.; Liu, G.; Joachimiak, A.; Montelione, G.T.; Sosnick, T.R.; Koide, S. Protein Sci. 2016, 26: 208 - 217. Aromatic Claw: A new fold with high aromatic content that evades structural prediction. (pdf) suppl. material (pdf)
  343. Cai, K.; Liu, G.; Frederick, R.O.; Xiao, R.; Montelione, G.T.; Markley, J.L. Structure 2016, 24: 2080 - 2091. Structural/functional properties of human NFU1, an intermediate [4Fe-4S] carrier in human mitochondrial iron-sulfur cluster biogenesis. (pdf) suppl. material 1 (pdf) suppl. material 2 (pdf) PMC5166578
  344. Marcos, E.; Basanta, B.; Chidyausiku, T.M.; Tang, Y.; Oberdorfer, G.; Liu, G.; Swapna, G.V.T.; Guan, R.; Silva, D.-A.; Dou, J.; Pereira, J.H.; Xiao, R.; Banumathi Sankaran, B.; Zwart, P.H.; Montelione, G.T.; Baker, D. Science 2017, 355: 201 - 206. Principles for designing proteins with cavities formed by curved β-sheets. (pdf) suppl. material (pdf)
  345. Guan, R.; Aiyer, S.; Cote, M.L.; Xiao, R.; Jiang, M.; Acton, T.; Roth, M.J.; Montelione, G.T. PROTEINS: Struct. Funct. Bioinformatics 2017, (epub ahead of print) X-ray crystal structure of the N-terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition.
  346. Harish, B.; Swapna, G.V.T.; Kornhaber, G.J.; Montelione, G.T.; Carey, J. PROTEINS: Struct. Funct. Bioinformatics 2017, (epub ahead of print) Multiple helical conformations of the helix-turn-helix region revealed by NOE-restrained MD simulations of tryptophan aporepressor, TrpR. (pdf)
  347. Alasadi, A.; Chen, M.; Swapna, G.V.T.; Tao, H.; Guo, J.; Collantes, J.; Fadhil, N.; Montelione, G.; Jin, S.V. Cancer Discovery 2017, (submitted) Treating hepatic metastatic colon cancer by antagonizing aerobic glycolysis.

02/17/17
CABM, Rutgers University