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TitleThe Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 8314-8324, Year 2020
Publish dateDec 21, 2019 (structure data deposition date)
AuthorsDuff Jr., M.R. / Gabel, S.A. / Pedersen, L.C. / DeRose, E.F. / Krahn, J.M. / Howell, E.E. / London, R.E.
External linksJ. Med. Chem. / PubMed:32658475
MethodsX-ray diffraction
Resolution2.34 Å
Structure data

PDB-6vcj:
Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

Chemicals

ChemComp-LG3:
PYRIMIDINE-2,4-DIAMINE

ChemComp-NPX:
(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-FOL:
FOLIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / NADP+ / 2 / 4-diaminopyridine / R-naproxen / inhibitor / complex

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