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TitleStereo-selectively Induced Cofactor Switching Provides Insight into Cofactor Site Plasticity as a Possible Mechanism of Antifolate Resistance
Journal, issue, pagesTo Be Published
Publish dateDec 23, 2014 (structure data deposition date)
AuthorsKeshipeddy, S. / Reeve, S.M. / Anderson, A.C. / Wright, D.L.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.692 Å
Structure data

PDB-4xe6:
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1061)
Method: X-RAY DIFFRACTION / Resolution: 2.692 Å

Chemicals

ChemComp-06U:
6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine

ChemComp-ACT:
ACETATE ION

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

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE Inhibitor / Dihydrofolate reductase / Oxidoreductase / Methicillin-resistant Staphylococcus aureus / Antifolates / Enantiopure Inhibitors / OXIDOREDUCTASE-OXIDOREDUCTASE Inhibitor complex

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