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Structure paper

TitleDirect inhibitors of InhA are active against Mycobacterium tuberculosis
Journal, issue, pagesSci Transl Med, Vol. 7, Page 269ra3-269ra3, Year 2015
Publish dateSep 7, 2014 (structure data deposition date)
AuthorsManjunatha, U.H. / Rao, S.P.S. / Kondreddi, R.R. / Noble, C.G. / Camacho, L.R. / Tan, B.H. / Ng, S.H. / Ng, P.S. / Ma, N.L. / Lakshminarayana, S.B. ...Manjunatha, U.H. / Rao, S.P.S. / Kondreddi, R.R. / Noble, C.G. / Camacho, L.R. / Tan, B.H. / Ng, S.H. / Ng, P.S. / Ma, N.L. / Lakshminarayana, S.B. / Herve, M. / Barnes, S.W. / Yu, W. / Kuhen, K. / Blasco, F. / Beer, D. / Walker, J.R. / Tonge, P.J. / Glynne, R. / Smith, P.W. / Diagana, T.T.
External linksSci Transl Med / PubMed:25568071
MethodsX-ray diffraction
Resolution2.9 - 3.2 Å
Structure data

PDB-4r9r:
Mycobacterium tuberculosis InhA bound to NITD-564
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4r9s:
Mycobacterium tuberculosis InhA bound to NITD-916
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

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

ChemComp-3KX:
6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one

ChemComp-HOH:
WATER

ChemComp-3KY:
6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one

Source
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsOXIDOREDUCTASE / enoyl-acyl carrier protein reductase / enoyl acyl carrier protein reductase

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