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TitleToward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.
Journal, issue, pagesPlos One, Vol. 7, Page e29434-e29434, Year 2012
Publish dateJun 15, 2011 (structure data deposition date)
AuthorsViswanathan, K. / Frey, K.M. / Scocchera, E.W. / Martin, B.D. / Swain Iii, P.W. / Alverson, J.B. / Priestley, N.D. / Anderson, A.C. / Wright, D.L.
External linksPlos One / PubMed:22347365
MethodsX-ray diffraction
Resolution2.598 - 2.999 Å
Structure data

PDB-3sgy:
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)
Method: X-RAY DIFFRACTION / Resolution: 2.598 Å

PDB-3sh2:
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine (UCP120J)
Method: X-RAY DIFFRACTION / Resolution: 2.999 Å

Chemicals

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

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

ChemComp-HOH:
WATER

ChemComp-5DR:
6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine

Source
  • staphylococcus aureus (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / oxidoreductase / NADP / NADPH / One-carbon metabolism / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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