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Structure paper

TitleStructural basis of NSAID selectivity for the AKR1C family
Journal, issue, pagesTo be Published
Publish dateMar 24, 2013 (structure data deposition date)
AuthorsYosaatmadja, Y. / Flanagan, J.U. / Squire, C.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.3 - 1.6 Å
Structure data

PDB-4jtq:
AKR1C2 complex with flurbiprofen
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4jtr:
AKR1C2 complex with ibuprofen
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-FLP:
FLURBIPROFEN

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-IBP:
IBUPROFEN / medication*YM

ChemComp-IZP:
(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid

Source
  • homo sapiens (human)
KeywordsOxidoreductase/Oxidoreductase inhibitor / oxido-reductase / Oxidoreductase-Oxidoreductase inhibitor complex

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