Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: An essential step for the iterative structure-based design of factor XI inhibitors

Acta Crystallographica Section D: Biological Crystallography

Volumn 61, Issue 10, 2005, Pages 1418-1425

  Jin, Lei ^a   Pandey, Pramod ^a   Babine, Robert E ^a   Weaver, David T ^a   Abdel Meguid, Sherin S ^a   Strickler, James E ^a  

^a DAIICHI SANKYO CO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENZAMIDINE; BENZAMIDINE DERIVATIVE; BLOOD CLOTTING FACTOR; BLOOD CLOTTING FACTOR 11; BLOOD CLOTTING FACTOR 11A; COMPLEMENTARY DNA; LIGAND; PEPTIDE; RECOMBINANT PROTEIN; SERINE;

ARTICLE; BINDING SITE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; ENZYME ACTIVE SITE; GENETICS; HUMAN; HYDROGEN BOND; IC 50; MACROMOLECULE; METABOLISM; MUTAGENESIS; MUTATION; PICHIA; PROTEIN BINDING; PROTEIN CONFORMATION; SITE DIRECTED MUTAGENESIS; X RAY CRYSTALLOGRAPHY;

BENZAMIDINES; BINDING SITES; BLOOD COAGULATION FACTORS; CATALYSIS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DNA, COMPLEMENTARY; FACTOR XI; FACTOR XIA; HUMANS; HYDROGEN BONDING; INHIBITORY CONCENTRATION 50; LIGANDS; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; MUTAGENESIS; MUTAGENESIS, SITE-DIRECTED; MUTATION; PEPTIDES; PICHIA; PROTEIN BINDING; PROTEIN CONFORMATION; RECOMBINANT PROTEINS; SERINE;

EID: 32944481073     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1107/S0907444905024340     Document Type: Article

References (23)

1. Babine, R. E. & Bender, S. L. (1997). Chem. Rev. 97, 1359-1472.
2. Baglia, F. A., Gailani, D., Lopez, J. A. & Walsh, P. N. (2004). J. Biol. Chem. 279, 45470-45476.
3. Baglia, F. A., Jameson, B. A. & Walsh, P. N. (1992). J. Biol. Chem. 267, 4247-4252.
4. Baglia, F. A., Jameson, B. A. & Walsh, P. N. (1993). J. Biol. Chem. 268, 3838-3844.
5. Baglia, F. A., Jameson, B. A. & Walsh, P. N. (1995). J. Biol. Chem. 270, 6734-6740.
6. Baglia, F. A. & Walsh, P. N. (1996). J. Biol. Chem. 271, 3652-3658.
7. Bouma, B. N. & Meijers, J. C. (2000). Curr. Opin. Hematol. 7, 266-272.
8. Chung, C. H., Ives, H. E., Almeda, S. & Goldberg, A. L. (1983). J. Biol. Chem. 258, 11032-11038.
9. Derewenda, Z. S. (2004). Structure, 12, 529-535.
10. Earnest, T., Fauman, E., Craik, C. S. & Stroud, R. (1991). Proteins, 10, 171-187.
11. Gillmor, S. A., Takeuchi, T., Yang, S. Q., Craik, C. S. & Fletterick, R. J. (2000). J. Mol. Biol. 299, 993-1003.
12. Gruber, A. & Hanson, S. R. (2003). Blood, 102, 953-955.
13. Hirsh, J., O'Donnell, M. & Weitz, J. I. (2005). Blood, 105, 453-463.
14. Ho, D. H., Badellino, K., Baglia, F. A. & Walsh, P. N. (1998). J. Biol. Chem. 273, 16382-16390.
15. Jin, L. & Babine, R. E. (2004). Protein Crystallography in Drug Discovery, edited by R. E. Babine & S. S. Abdel-Meguid, pp. 209-214. Weinheim: Wiley-VCH.
16. Jin, L., Pandey, P., Babine, R. E., Gorga, J. C., Seidl, K. J., Gelfand, E., Weaver, D. T., Abdel-Meguid, S. S. & Strickler, J. E. (2005). J. Biol. Chem. 280, 4704-4712.
17. Longenecker, K. L., Garrard, S. M., Sheffield, P. J. & Derewenda, Z. S. (2001). Acta Cryst. D57, 679-688.
18. Longenecker, K. L., Read, P., Lin, S. K., Somlyo, A. P., Nakamoto, R. K. & Derewenda, Z. S. (2003). Acta Cryst. D59, 876-880.
19. Minnema, M. C., Friederich, P. W., Levi, M., von dem Borne, P. A., Mosnier, L. O., Meijers, J. C., Biemond, B. J., Hack, C. E., Bouma, B. N. & ten Cate, H. (1998). J. Clin. Invest. 101, 10-14.
20. Navaza, J. (2001). Acta Cryst. D57, 1367-1372.
21. Otwinowski, Z. & Minor, W. (1997). Methods Enzymol. 276, 307-326.
22. Ragni, M. V., Sinha, D., Seaman, F., Lewis, J. H., Spero, J. A. & Walsh, P. N. (1985). Blood, 65, 719-724.
23. Walsh, P. N. (2001). Thromb. Haemost. 86, 75-82.