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Structure paper

TitleChiral evasion and stereospecific antifolate resistance in Staphylococcus aureus.
Journal, issue, pagesPlos Comput. Biol., Vol. 18, Page e1009855-e1009855, Year 2022
Publish dateDec 15, 2021 (structure data deposition date)
AuthorsWang, S. / Reeve, S.M. / Holt, G.T. / Ojewole, A.A. / Frenkel, M.S. / Gainza, P. / Keshipeddy, S. / Fowler, V.G. / Wright, D.L. / Donald, B.R.
External linksPlos Comput. Biol. / PubMed:35143481
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-7t7q:
R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with tNADPH
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7t7s:
R-27 in Complex with S. aureus DHFR and tricyclic-NADPH (tNADPH)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-NDW:
alpha-NADPH

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-HOH:
WATER

ChemComp-XNP:
Tricyclic NADPH

Source
  • staphylococcus aureus (bacteria)
KeywordsOXIDOREDUCTASE / DHFR / cofactor / Antibiotic resistance / Antifolates

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