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TitleAntitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.
Journal, issue, pagesEbiomedicine, Vol. 8, Page 291-301, Year 2016
Publish dateApr 19, 2016 (structure data deposition date)
AuthorsMartinez-Hoyos, M. / Perez-Herran, E. / Gulten, G. / Encinas, L. / Alvarez-Gomez, D. / Alvarez, E. / Ferrer-Bazaga, S. / Garcia-Perez, A. / Ortega, F. / Angulo-Barturen, I. ...Martinez-Hoyos, M. / Perez-Herran, E. / Gulten, G. / Encinas, L. / Alvarez-Gomez, D. / Alvarez, E. / Ferrer-Bazaga, S. / Garcia-Perez, A. / Ortega, F. / Angulo-Barturen, I. / Rullas-Trincado, J. / Blanco Ruano, D. / Torres, P. / Castaneda, P. / Huss, S. / Fernandez Menendez, R. / Gonzalez Del Valle, S. / Ballell, L. / Barros, D. / Modha, S. / Dhar, N. / Signorino-Gelo, F. / McKinney, J.D. / Garcia-Bustos, J.F. / Lavandera, J.L. / Sacchettini, J.C. / Jimenez, M.S. / Martin-Casabona, N. / Castro-Pichel, J. / Mendoza-Losana, A.
External linksEbiomedicine / PubMed:27428438
MethodsX-ray diffraction
Resolution2.907 Å
Structure data

PDB-5jfo:
Structure of the M.tuberculosis enoyl-reductase InhA in complex with GSK625
Method: X-RAY DIFFRACTION / Resolution: 2.907 Å

Chemicals

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

ChemComp-6KA:
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / antitubercular / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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