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TitleDiscovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
Journal, issue, pagesChemistry, Vol. 27, Page 3130-3141, Year 2021
Publish dateOct 9, 2020 (structure data deposition date)
AuthorsLin, X. / Kurz, J.L. / Patel, K.M. / Wun, S.J. / Hussein, W.M. / Lonhienne, T. / West, N.P. / McGeary, R.P. / Schenk, G. / Guddat, L.W.
External linksChemistry / PubMed:33215746
MethodsX-ray diffraction
Resolution2.59 - 2.63 Å
Structure data

PDB-7ke2:
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+ and NSC116565
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

PDB-7kh7:
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, NADPH, and NSC116565
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-WBY:
6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione

ChemComp-HOH:
WATER

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

Source
  • staphylococcus aureus (bacteria)
KeywordsISOMERASE / Oxidoreductase / REDUCTOISOMERASE / INHIBITOR / METAL BINDING PROTEIN / ISOMERASE/Inhibitor / COMPLEX / ISOMERASE-Inhibitor complex

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