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Structure paper

TitleStructural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.
Journal, issue, pagesJ. Steroid Biochem. Mol. Biol., Vol. 171, Page 80-93, Year 2017
Publish dateFeb 28, 2011 (structure data deposition date)
AuthorsCassetta, A. / Stojan, J. / Krastanova, I. / Kristan, K. / Brunskole Svegelj, M. / Lamba, D. / Rizner, T.L.
External linksJ. Steroid Biochem. Mol. Biol. / PubMed:28259640
MethodsX-ray diffraction
Resolution2.2 - 2.62 Å
Structure data

PDB-3qwh:
Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus in complex with NADPH and kaempferol
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-4fj0:
Crystal structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and 3,7-dihydroxy flavone
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4fj1:
Crystal Structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and genistein
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4fj2:
Crystal structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and biochanin A
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-KMP:
3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HHF:
3,7-dihydroxy-2-phenyl-4H-chromen-4-one

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GEN:
GENISTEIN / inhibitor*YM

ChemComp-QSO:
5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

Source
  • cochliobolus lunatus (fungus)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / 17BETA-HYDROXYSTEROID DEHYDROGENASE / SHORT CHAIN DEHYDROGENASE/REDUCTASE / PHYTOESTROGENS / FLAVONOIDS / Rossmann Fold / Cytosol / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / Oxidoreductase / NADP(H)

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