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Structure paper

TitleStructural basis of NSAID selectivity for the aldo-keto reductase 1C family
Journal, issue, pagesTo be Published
Publish dateMar 19, 2013 (structure data deposition date)
AuthorsYosaatmadja, Y. / Flanagan, J.U. / Squire, C.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.45 - 1.75 Å
Structure data

PDB-4jq1:
AKR1C2 complex with naproxen
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4jq2:
AKR1C2 complex with sulindac
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4jq3:
AKR1C2 complex with zomepirac
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4jq4:
AKR1C2 complex with indomethacin
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-4jqa:
AKR1C2 complex with mefenamic acid
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-NPS:
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid

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-SUZ:
[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid

ChemComp-ZOM:
[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid

ChemComp-IMN:
INDOMETHACIN / medication*YM

ChemComp-ID8:
2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID

ChemComp-NA:
Unknown entry

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

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