An AMBER/DYANA/MOLMOL phosphorylated amino acid library set and incorporation into NMR structure calculations

Journal of Biomolecular NMR

Volumn 33, Issue 1, 2005, Pages 15-24

  Craft, John W ^a   Legge, Glen B ^a  

^a University of Houston   (United States)

Author keywords

AMBER; Phosphorylation; Phosphoserine; Phosphothreonine; Phosphotyrosine

Indexed keywords

AMINO ACID; PEPTIDE; PHOSPHOSERINE; PHOSPHOTHREONINE;

ARTICLE; COMPUTER PROGRAM; COMPUTER SIMULATION; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN MODIFICATION; PROTEIN PHOSPHORYLATION; PROTEIN STRUCTURE; STRUCTURE ANALYSIS;

AMINO ACID SEQUENCE; AMINO ACIDS; MATHEMATICS; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDE LIBRARY; PHOSPHORYLATION; PROTEINS;

EID: 27644545507     PISSN: 09252738     EISSN: 15735001     Source Type: Journal    
DOI: 10.1007/s10858-005-1199-0     Document Type: Article

References (19)

1. Bean, W.C. (1969) NASA MSC Internal Note #69-FM-237
2. Case, D.A., Darden, T.A., Cheatham, T.E., Simmerling, C.L., III, Wang, J., Duke, R.E., Luo, R., Merz, K.M., Wang, B., Pearlman, D.A., Crowley, M., Brozell, S., Tsui, V., Gohlke, H., Mongan, J., Hornak, V., Cui, G., Beroza, P., Schafmeister, C., Caldwell, J.W., Ross, W.S. and Kollman, P.A. (2004) AMBER 8, University of California, San Francisco
3. W.D. Cornell P. Cieplak C.I. Bayly I.R. Gould K.M. Merz Jr. D.M. Ferguson D.C. Spellmeyer T. Fox J.W. Caldwell and P.A. Kollman 1995 J. Am. Chem. Soc. 117 5179-5197 10.1021/ja00124a002
4. B.M. Duggan G.B. Legge H.J. Dyson and P.E. Wright 2001 J. Biomol. NMR 19 321-329 10.1023/A:1011227824104 11370778
5. M.-H. Feng M. Philippopoulos and A. MacKerell Jr C. Lim 1996 J. Am. Chem. Soc. 118 11265-11277 10.1021/ja961530r
6. P. Güntert C. Mumenthaler and K. Wüthrich 1997 J. Mol. Biol. 273 283-298 10.1006/jmbi.1997.1284 9367762
7. P. Güntert 1998 Q. Rev. Biophys. 31 145-237 10.1017/ S0033583598003436 9794034
8. R. Koradi M. Billeter and K. Wüthrich 1996 J. Mol. Graph. 14, 51-55 29-32
9. A.R. Leach 2001 Molecular Modeling; Principles and Applications Harlow Prentice-Hall
10. J.L. Markley A. Bax Y. Arata C.W. Hilbers R. Kaptein B.D. Sykes P.E. Wright and K. Wüthrich 1998 J. Biomol. NMR 12 1-23 10.1023/ A:1008290618449 9729785
11. F.A. Momany R.F. McGuire A.W. Burgess and H.A. Scheraga 1975 J. Phys. Chem. 79 2361-2381 10.1021/j100589a006
12. G. Némethy M.S. Pottle and H.A. Scheraga 1983 J. Phys. Chem. 87 1883-1887 10.1021/j100234a011
13. M. Nina W. Im and B. Roux 1999 Biophys. Chem. 78 89-96 10.1016/ S0301-4622(98)00236-1
14. A. Onufriev D.A. Case and D. Bashford 2002 J. Comp. Chem. 23 1297-1304 10.1002/jcc.10126
15. C.A. Spronk J.P. Linge C.W. Hilbers and G.W. Vuister 2002 J. Biomol. NMR 22 281-289 10.1023/A:1014971029663 11991356
16. N. Tjandra and A. Bax 1997 Science 278 1111-1114 10.1126/ science.278.5340.1111 9353189
17. V. Tsui and D.A. Case 2001 Biopolymers 56 275-291 10.1002/ 1097-0282(2000)56:4<275::AID-BIP10024>3.0.CO;2-E
18. K. Wuthrich 1986 NMR of Proteins and Nucleic Acids Wiley New York
19. B. Xia V. Tsui D.A. Case H.J. Dyson and P.E. Wright 2002 J. Biomol. NMR 22 317-331 10.1023/A:1014929925008 12018480