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Structure paper

TitleTowards a new combination therapy for tuberculosis with next generation benzothiazinones.
Journal, issue, pagesEMBO Mol Med, Vol. 6, Page 372-383, Year 2014
Publish dateOct 25, 2013 (structure data deposition date)
AuthorsMakarov, V. / Lechartier, B. / Zhang, M. / Neres, J. / van der Sar, A.M. / Raadsen, S.A. / Hartkoorn, R.C. / Ryabova, O.B. / Vocat, A. / Decosterd, L.A. ...Makarov, V. / Lechartier, B. / Zhang, M. / Neres, J. / van der Sar, A.M. / Raadsen, S.A. / Hartkoorn, R.C. / Ryabova, O.B. / Vocat, A. / Decosterd, L.A. / Widmer, N. / Buclin, T. / Bitter, W. / Andries, K. / Pojer, F. / Dyson, P.J. / Cole, S.T.
External linksEMBO Mol Med / PubMed:24500695
MethodsX-ray diffraction
Resolution1.881 Å
Structure data

PDB-4ncr:
Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169
Method: X-RAY DIFFRACTION / Resolution: 1.881 Å

Chemicals

ChemComp-26J:
2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form

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

ChemComp-GOL:
GLYCEROL

ChemComp-IMD:
IMIDAZOLE

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Decaprenylphosphoryl-beta-D-ribose oxidase / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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