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Structure paper

TitleTargeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
Journal, issue, pagesJ. Biol. Chem., Vol. 278, Page 20851-20859, Year 2003
Publish dateApr 21, 2003 (structure data deposition date)
AuthorsKuo, M.R. / Morbidoni, H.R. / Alland, D. / Sneddon, S.F. / Gourlie, B.B. / Staveski, M.M. / Leonard, M. / Gregory, J.S. / Janjigian, A.D. / Yee, C. ...Kuo, M.R. / Morbidoni, H.R. / Alland, D. / Sneddon, S.F. / Gourlie, B.B. / Staveski, M.M. / Leonard, M. / Gregory, J.S. / Janjigian, A.D. / Yee, C. / Musser, J.M. / Kreiswirth, B. / Iwamoto, H. / Perozzo, R. / Jacobs, W.R. / Sacchettini, J.C. / Fidock, D.A.
External linksJ. Biol. Chem. / PubMed:12606558
MethodsX-ray diffraction
Resolution2.6 - 2.7 Å
Structure data

PDB-1p44:
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-1p45:
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-GEQ:
5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE

ChemComp-HOH:
WATER

ChemComp-TCL:
TRICLOSAN / antifungal, antibiotic, detergent*YM

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / InhA / short chain dehydrogenase reductase / inhibitor / rossmann fold / enoyl-ACP reductase / Structural Genomics / PSI / Protein Structure Initiative / TB Structural Genomics Consortium / TBSGC / triclosan

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