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TitleProbing the inhibitor selectivity pocket of human 20 alpha-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 2564-2567, Year 2011
Publish dateJul 6, 2010 (structure data deposition date)
AuthorsEl-Kabbani, O. / Dhagat, U. / Soda, M. / Endo, S. / Matsunaga, T. / Hara, A.
External linksBioorg. Med. Chem. Lett. / PubMed:21414777
MethodsX-ray diffraction
Resolution1.87 Å
Structure data

PDB-3nty:
Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-5P3:
5-chloro-4-hydroxybiphenyl-3-carboxylic acid

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Aldo-keto reductase / 20 alpha hydroxysteroid dehydrogenase / AKR1C1 / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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