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TitleSelectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 4844-4848, Year 2008
Publish dateJan 28, 2008 (structure data deposition date)
AuthorsDhagat, U. / Endo, S. / Sumii, R. / Hara, A. / El-Kabbani, O.
External linksJ. Med. Chem. / PubMed:18620380
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-3c3u:
Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-C2U:
3,5-dichloro-2-hydroxybenzoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Aldo-keto reductase / 20 alpha hydroxysteroid dehydrogenase / AKR1C1 / Cytoplasm / NADP

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