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Structure paper

TitleNew Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 6961-6967, Year 2016
Publish dateJan 25, 2016 (structure data deposition date)
AuthorsBertoletti, N. / Braun, F. / Lepage, M. / Moller, G. / Adamski, J. / Heine, A. / Klebe, G. / Marchais-Oberwinkler, S.
External linksJ. Med. Chem. / PubMed:27362750
MethodsX-ray diffraction
Resolution1.52 - 2.02 Å
Structure data

PDB-5hs6:
Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-5icm:
17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5ics:
Crystal structure of 17beta-hydroxysteroid dehydrogenase type 14 apoenzyme.
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5js6:
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.
Method: X-RAY DIFFRACTION / Resolution: 2.002 Å

PDB-5jsf:
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD.
Method: X-RAY DIFFRACTION / Resolution: 1.842 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-J3Z:
(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one / hormone*YM

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-F45:
[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-CL:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / 17bHSD14 / Estrone complex / hydroxysteroid dehydrogenase / inhibitor complex / apoenzyme / cofactor complex

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