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TitleInhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Journal, issue, pagesChemmedchem, Vol. 7, Page 1974-1982, Year 2012
Publish dateJun 4, 2012 (structure data deposition date)
AuthorsNammalwar, B. / Bourne, C.R. / Bunce, R.A. / Wakeham, N. / Bourne, P.C. / Ramnarayan, K. / Mylvaganam, S. / Berlin, K.D. / Barrow, E.W. / Barrow, W.W.
External linksChemmedchem / PubMed:22930550
MethodsX-ray diffraction
Resolution2.3 - 2.5 Å
Structure data

PDB-4fgg:
S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4fgh:
S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-0U5:
(2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-0U6:
(2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one

Source
  • staphylococcus aureus (bacteria)
KeywordsOXIDOREDUCTASE/INHIBITOR / dihydrofolate reductase / OXIDOREDUCTASE-INHIBITOR complex

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