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TitleIdentification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 110, Page E2510-E2517, Year 2013
Publish dateMay 23, 2013 (structure data deposition date)
AuthorsWang, F. / Sambandan, D. / Halder, R. / Wang, J. / Batt, S.M. / Weinrick, B. / Ahmad, I. / Yang, P. / Zhang, Y. / Kim, J. ...Wang, F. / Sambandan, D. / Halder, R. / Wang, J. / Batt, S.M. / Weinrick, B. / Ahmad, I. / Yang, P. / Zhang, Y. / Kim, J. / Hassani, M. / Huszar, S. / Trefzer, C. / Ma, Z. / Kaneko, T. / Mdluli, K.E. / Franzblau, S. / Chatterjee, A.K. / Johnson, K. / Mikusova, K. / Besra, G.S. / Futterer, K. / Jacobs, W.R. / Schultz, P.G.
External linksProc. Natl. Acad. Sci. USA / PubMed:23776209
MethodsX-ray diffraction
Resolution2.612 Å
Structure data

PDB-4kw5:
M. tuberculosis DprE1 in complex with inhibitor TCA1
Method: X-RAY DIFFRACTION / Resolution: 2.612 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-1W6:
ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate

ChemComp-GOL:
GLYCEROL

ChemComp-IMD:
IMIDAZOLE

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
Keywordsoxidoreductase/oxidoreductase INHIBITOR / alpha/beta fold / oxidoreductase / oxidoreductase-oxidoreductase INHIBITOR complex

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