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Structure paper

TitleStructure-Based Drug Design and Characterization of Sulfonyl-Piperazine Benzothiazinone Inhibitors of DprE1 from Mycobacterium tuberculosis.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 62, Year 2018
Publish dateApr 7, 2018 (structure data deposition date)
AuthorsPiton, J. / Vocat, A. / Lupien, A. / Foo, C.S. / Riabova, O. / Makarov, V. / Cole, S.T.
External linksAntimicrob. Agents Chemother. / PubMed:30012754
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-6g83:
Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

ChemComp-EQ8:
[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsOXIDOREDUCTASE / DprE1 / M. tuberculosis / inhibitor / complex / BTZ

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