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Structure paper

TitleStructure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
Journal, issue, pagesJ. Biol. Chem., Vol. 282, Page 8368-8379, Year 2007
Publish dateMay 18, 2005 (structure data deposition date)
AuthorsQiu, W. / Zhou, M. / Mazumdar, M. / Azzi, A. / Ghanmi, D. / Luu-The, V. / Labrie, F. / Lin, S.X.
External linksJ. Biol. Chem. / PubMed:17166832
MethodsX-ray diffraction
Resolution1.3 - 1.35 Å
Structure data

PDB-1zq5:
Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-2fgb:
Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with PEG and NADP
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-E04:
3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / (alpha/beta)8 barrel

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