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TitleNon-mutagenic Nitrobenzothiazoles as Novel Anti-tubercular Agents: A Balance between Potency and Electron Affinity
Journal, issue, pagesTo Be Published
Publish dateMar 31, 2014 (structure data deposition date)
AuthorsNeres, J. / Cole, S.T.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution3 Å
Structure data

PDB-4p8h:
Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

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

ChemComp-O95:
{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / DprE1 / inhibitor / complex / covalent / nitro-benzothiazole 6a / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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