Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis

Proceedings of the National Academy of Sciences of the United States of America

Volumn 103, Issue 9, 2006, Pages 3072-3077

  Lin, Ting Wan ^a,c   Melgar, Melrose M ^a,c   Kurth, Daniel ^d   Swamidass, S Joshua ^b,c   Purdon, John ^a,c   Tseng, Teresa ^a,c   Gago, Gabriela ^d   Baldi, Pierre ^b,c   Gramajo, Hugo ^d   Tsai, Shiou Chuan ^a,c  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Irvine   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d UNIVERSIDAD NACIONAL DE ROSARIO   (Argentina)

Author keywords

Cell wall lipid; Multimethyl branched fatty acid; Mycocerosic acid; Mycolic acid; Tuberculosis

Indexed keywords

ACYL COENZYME A; CARBOXYLASE; CARBOXYLTRANSFERASE; ENZYME INHIBITOR; FATTY ACID; HYDROXYPHTHIOCERANIC ACID; ISONIAZID; METHYLMALONYLCOENZYME A; MYCOCEROSIC ACID; MYCOLIC ACID; MYCOLIPENIC ACID; MYCOSANOIC ACID; NCI 65828; PHTHIOCERANIC ACID; PROTEIN ACCD4; PROTEIN ACCD5; PROTEIN ACCD6; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ANTIBIOTIC RESISTANCE; ARTICLE; BACTERIAL SURVIVAL; BACTERIAL VIRULENCE; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; ENZYME SUBSTRATE; ENZYME SUBUNIT; ESCHERICHIA COLI; FATTY ACID SYNTHESIS; LIPOGENESIS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; STREPTOMYCES COELICOLOR;

ANTITUBERCULAR AGENTS; BINDING SITES; CARBON-CARBON LIGASES; COMPUTATIONAL BIOLOGY; DRUG DESIGN; ENZYME INHIBITORS; LIGANDS; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; PROTEIN STRUCTURE, QUATERNARY; SUBSTRATE SPECIFICITY;

BACTERIA (MICROORGANISMS); CORYNEBACTERINEAE; ESCHERICHIA COLI; MYCOBACTERIUM TUBERCULOSIS; STREPTOMYCES COELICOLOR;

EID: 33644777600     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0510580103     Document Type: Article

References (40)

1. Ishikawa, N. (2005) Kekkaku 80, 89-94.
2. Kunimoto, D. & Long, R. (2005) Respir. Care Clin. N. Am. 11, 25-34.
3. Bates, I., Fenton, C., Gruber, J., Lalloo, D., Lara, A. M., Squire, S. B., Theobald, S., Thomson, R. & Tolhurst, R. (2004) Lancet Infect. Dis. 4, 368-375.
4. Bates, I., Fenton, C., Gruber, J., Lalloo, D., Medina Lara, A., Squire, S. B., Theobald, S., Thomson, R. & Tolhurst, R. (2004) Lancet Infect. Dis. 4, 267-277.
5. Chopra, K. (1996) Indian J. Pediatr. 63, 159-162.
6. Daffe, M. & Draper, P. (1998) Adv. Microb. Physiol. 39, 131-203.
7. Brennan, P. J. & Nikaido, H. (1995) Annu. Rev. Biochem. 64, 29-63.
8. Lee, R. E., Brennan, P. J. & Besra, G. S. (1996) Curr. Top Microbiol. Immunol. 215, 1-27.
9. Takayama, K., Wang, C. & Besra, O. S. (2005) Clin. Microbiol. Rev. 18, 81-101.
10. Minnikin, D. E., Kremer, L., Dover, L. G. & Besra, G. S. (2002) Chem. Biol. 9, 545-553.
11. Fernandes, N. D. & Kolattukudy, P. E. (1996) Gene 170, 95-99.
12. Mathur, M. & Kolattukudy, P. E. (1992) J. Biol. Chem. 267, 19388-19395.
13. Quadri, L. E., Sello, J., Keating, T. A., Weinreb, P. H. & Walsh, C. T. (1998) Chem. Biol. 5, 631-645.
14. Trivedi, O. A., Arora, P., Vats, A., Ansari, M. Z., Tickoo, R., Sridharan, V., Mohanty, D. & Gokhale, R. S. (2005) Mol. Cell 17, 631-643.
15. Cronan, J. E., Jr., & Waldrop, G. L. (2002) Prog. Lipid Res. 41, 407-435.
16. Tong, L. (2005) Cell Mol. Life Sci. 62, 1784-1803.
17. Heath, R. J., White, S. W. & Rock, C. O. (2002) Appl. Microbiol. Biotechnol. 58, 695-703.
18. Kim, K. H. (1997) Annu. Rev. Nutr. 17, 77-99.
19. Cole, S. T., Brosch, R., Parkhill, J., Garnier, T., Churcher, C., Harris, D., Gordon, S. V., Eiglmeier, K., Gas, S., Barry, C. E., III, et al. (1998) Nature 393, 537-544.
20. Gago, G., Kurth, D., Diacovich, L., Tsai, S. C. & Gramajo, H. (2006) J. Bacteriol. 188, 477-486.
21. Rodriguez, E., Banchio, C., Diacovich, L., Bibb, M. J. & Gramajo, H. (2001) Appl. Environ. Microbiol. 67, 4166-4176.
22. Diacovich, L., Peiru, S., Kurth, D., Rodriguez, E., Podesta, F., Khosla, C. & Gramajo, H. (2002) J. Biol. Chem. 277, 31228-31236.
23. Diacovich, L., Mitchell, D. L., Pham, H., Gago, G., Melgar, M. M., Khosla, C. Gramajo, H. & Tsai, S. C. (2004) Biochemistry 43, 14027-14036.
24. Rainwater, D. L. & Kolattukudy, P. E. (1982) J. Bacteriol. 151, 905-911.
25. Portevin, D., de Sousa-D'Auria, C., Montrozier, U., Houssin, C. Stella, A., Laneclle, M. A., Bardou, F., Guilhot, C. & Daffe, M. (2005) J. Biol. Chem. 280, 8862-8874.
26. Gande, R., Gibson, K. J., Brown, A. K., Krumbach, K., Dover, L. G., Sahm, H., Shioyama, S., Oikawa, T., Besra, G. S. & Eggeling, L. (2004) J. Biol. Chem. 279, 44847-44857.
27. Zhang, H., Yang, Z., Shen, Y. & Tong, L. (2003) Science 299, 2064-2067.
28. Hall, P. R., Wang, Y. F., Rivera-Hainaj, R. E., Zheng, X., Pustai-Carey, M., Carey, P. R. & Yee, V. C. (2003) EMBO J. 22, 2334-2347.
29. Holden, H. M., Benning, M. M., Haller, T. & Gerli, J. A. (2001) Acc. Chem. Res. 34, 145-157.
30. Rainwater, D. L. & Kolattukudy, P. E. (1983) J. Biol. Chem. 258, 2970-2985.
31. Dessen, A., Quemard, A., Blanchard, J. S., Jacobs, W. R., Jr., & Sacchettini, J. C. (1995) Science 267, 1638-1641.
32. Zhang, Y. (2005) Annu. Rev. Pharmacol. Toxicol. 45, 529-564.
33. Ewing, T. J., Makino, S., Skillman, A. G. & Kuntz, I. D. (2001) J. Comput. Aided Mol. Des. 15, 411-428.
34. Bursulaya, B. D., Totrov, M., Abagyan, R. & Brooks, C. L., III (2003) J. Comput. Aided Mol. Des. 17, 755-763.
35. Chen, J., Swamidass, S. J., Dou, Y., Bruand, J. & Baldi, P. (2005) Bioinformatics 21, 4133-4139.
36. Gronwald, J. W. (1994) Biochem. Soc. Trans. 22, 616-621.
37. Davis, M. S. & Cronan, J. E., Jr. (2001) J. Bacteriol. 183, 1499-1503.
38. Davis, M. S., Solbiati, J. & Cronan, J. E., Jr. (2000) J. Biol. Chem. 275, 28593-28598.
39. Otwinowski, Z. & Minor, W. (1997) Methods Enzymol. 276, 307-326.
40. Brunger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J. S., Kuszewski, J., Nilges, M., Pannu, N. S., et al. (1908) Acta Crystallogr. D 54, 905-921.