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Structure paper

TitleDesign, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors
Journal, issue, pagesTo Be Published
Publish dateDec 10, 2017 (structure data deposition date)
AuthorsKandale, A. / Patel, K.M. / Zheng, S. / You, L. / Guddat, L.W. / Schenk, G. / Schembri, M.A. / McFeary, R.P.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.88 - 2.09 Å
Structure data

PDB-6bul:
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-6c55:
Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-E9G:
{hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid

ChemComp-E9J:
oxo{[(1S)-1-phenylethyl]amino}acetic acid

ChemComp-HOH:
WATER

ChemComp-EKD:
(cyclohexylamino)(oxo)acetic acid

ChemComp-EKA:
[cyclohexyl(hydroxy)amino](oxo)acetic acid

Source
  • staphylococcus aureus (strain bovine rf122 / et3-1) (bacteria)
KeywordsOxidoreductase/Inhibitor / ketol-acid reductoisomerase / inhibitor / Oxidoreductase-Inhibitor complex / OXIDOREDUCTASE

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