Directional preferences of intermolecular contacts to hydrophobic groups

Acta Crystallographica Section D: Biological Crystallography

Volumn 54, Issue 6 I, 1998, Pages 1183-1193

  Cole, Jason C ^a   Taylor, Robin ^a   Verdonk, Marcel L ^a  

^a CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND;

CONFERENCE PAPER; FACTUAL DATABASE; HYDROGEN BOND; PROTEIN CONFORMATION;

DATABASES, FACTUAL; HYDROGEN BONDING; LIGANDS; PROTEIN CONFORMATION;

EID: 0032215207     PISSN: 09074449     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0907444998008932     Document Type: Conference Paper

References (39)

1. Abrahamsson, S. (1963). ACTa Cryst. 16, 409-418.
2. Allen, F. H., Davies, J. E., Galloy, J. J., Johnson, O., Kennard, O., Macrae, C. F. Mitchell, E. M., Mitchell, G. F., Smith, J. M. & Watson, D. G. (1991). J. Chem. Inf. Comput. Sci. 31, 187-204.
3. Baalham, C. A. (1996). MPhil thesis, University of Cambridge, UK.
4. Bernstein, F. C., Koetzle, T. F., Williams, G. J. B., Meyer, E. F., Brice, M. D., Rodgers, J. R., Kennard, O., Shimanouchi, T. & Tasumi, M. (1977). J. Mol. Biol. 112, 535-542.
5. Böhm, H.-J. (1994). J. Comput. Aided Mol. Design, 8, 243-256.
6. Bovio, B. & Locchi, S. (1972). J. Cryst. Mol. Struct. 2, 89-97.
7. Bruno, I. J., Cole, J. C., Lommerse, J. P. M., Rowland, R. S., Taylor, R. & Verdonk, M. L. (1997). J. Comput. Aided Mol. Design, 11, 525-537.
8. Burley, S. K. & Petsko, G. A. (1985). Science, 229, 23-28.
9. Burley, S. K. & Petsko, G. A. (1988). Adv. Protein Chem. 39, 125-189.
10. Burling, F. T. & Goldstein, B. M. (1992). J. Am. Chem. Soc. 114, 2313-2320.
11. Cambridge Crystallographic Data Centre (1992). CSD User Manual. Cambridge, UK.
12. Cardellini, L., Tosi, G., Bocelli, G. & Musatti, A. (1980). Cryst. Struct. Commun. 9, 233-237.
13. Chothia, C. (1976). J. Mol. Biol. 105, 1-14.
14. Desiraju, G. R. (1996). Acc. Chem. Res. 29, 441-449.
15. Dougherty, D. A. (1996). Science, 271, 163-168.
16. Eisenberg, D. & McLachlan, A. D. (1986). Nature (London), 319, 199-203.
17. Fersht, A. R. & Serrano, L. (1993). Curr. Opin. Struct. Biol. 3, 75-83.
18. Gerwick, W. H., Fenical, W., Van Engen, D. & Clardy, J. (1980). J. Am. Chem. Soc. 102, 7991-7993.
19. Hope, H. & Christensen, A. T. (1968). Acta Cryst. B24, 375-382.
20. Jain, A. N. (1996). J. Comput. Aided Mol. Design, 10, 427-440.
21. Jones, G., Willett, P., Glen, R.C., Leach, A. R. & Taylor, R. (1997). J. Mol. Biol. 267, 727-748.
22. Kuntz, I. D., Blaney, J. M., Oatley, S. J., Langridge, R. & Ferrin, T. E. (1982). J. Mol. Biol. 161, 269-288.
23. Lommerse, J. P. M., Stone, A. J., Taylor, R. & Allen, F. H. (1996). J. Am. Chem. Soc. 118, 3108-3116.
24. Madsen, U., Frydenvang, K., Ebert, B., Johansen, T. N., Brehm, L. & Krogsgaard-Larsen, P. (1996). J. Med. Chem. 39, 183-190.
25. Marron, B. E., Schlicksupp, L. & Natale, N. R. (1988). J. Heterocycl. Chem. 25, 1067-1070.
26. Mori, K., Aki, S. & Kido, M. (1993). Liebigs Ann. Chem. pp. 83-90.
27. Ooi, T., Oobatake, M., Nemethy, G. & Scheraga, H. A. (1987). Proc. Natl Acad. Sci. USA, 84, 3086-3090.
28. Paton, W. F. & Paul, I. C. (1979). Cryst. Struct. Commun. 8, 207-211.
29. Rarey, M., Kramer, B., Lengauer, T. & Klebe, G. (1996). J. Mol. Biol. 261, 470-489.
30. Rosenfield, R. E. Jr, Parthasarathy, R. & Dunitz, J. D. (1977). J. Am. Chem. Soc. 99, 4860-4862.
31. Ryng, S., Machon, Z. & Glowiak, T. (1994). J. Chem. Cryst. 24, 483-488.
32. Sivaraman, J., Subramanian, K., Velmurugan, D., Subramanian, E. & Sadanandan, E. V. (1994). Acta Cryst. C50, 787-789.
33. Smith, M. P., Mirzaei, Y. R., Natale, N. R., Scott, B. & Willett, R. D. (1991). Acta Cryst. C47, 1328-1330.
34. Taylor, R. & Kennard, O. (1982). J. Am. Chem. Soc. 104, 5063-5070.
35. Thomas, K. A., Smith, G. M., Thomas, T. B. & Feldman, R. J. (1982). Proc. Natl Acad. Sci. USA, 79, 4843-4847.
36. Verdonk, M. L. (1995). PhD thesis, University of Utrecht, The Netherlands.
37. Verdonk, M. L., Cole, J. C. & Taylor, R. (1998). In preparation.
38. Verner, E. J., Oliver, B. J., Schlicksupp, L. & Natale, N. R. (1990). Heterocycles, 31, 327-339.
39. Yamauchi, M., Akiyama, S., Watanabe, T. Okamura, K. & Date, T. (1993). J. Chem. Soc. Chem. Commun. pp. 17-18.