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Structure paper

TitleCrystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates.
Journal, issue, pagesACS Infect Dis, Vol. 2, Page 149-156, Year 2016
Publish dateOct 20, 2015 (structure data deposition date)
AuthorsLombardo, M.N. / G-Dayanandan, N. / Wright, D.L. / Anderson, A.C.
External linksACS Infect Dis / PubMed:27624966
MethodsX-ray diffraction
Resolution1.87 - 1.95 Å
Structure data

PDB-5ecc:
Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-5ecx:
Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(6-(pyridin-4-yl)benzo[d][1,3]dioxol-4-yl)but-1-yn-1-yl)pyrimidine-2,4-diamine
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

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

ChemComp-GOL:
GLYCEROL

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-5N1:
6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine

ChemComp-GLV:
GLYOXYLIC ACID

Source
  • klebsiella pneumoniae (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE Inhibitor / Oxidoreductase / Antifolates / dfrA1 / plasmid borne resistance / OXIDOREDUCTASE-OXIDOREDUCTASE Inhibitor complex

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