Bertoletti, N.* ; Braun, F.* ; Lepage, M.* ; Möller, G. ; Adamski, J. ; Heine, A.* ; Klebe, G.* ; Marchais-Oberwinkler, S.*
New insights into human 17β-hydroxysteroid dehydrogenase type 14: First crystal structures in complex with a steroidal ligand and with a potent non-steroidal inhibitor.
J. Med. Chem. 59, 6961-6967 (2016)
17β-HSD14 is a SDR enzyme, able to oxidize estradiol and 5-androstenediol using NAD(+). We determined the crystal structure of this human enzyme as the holo form and as ternary complexes with estrone and with the first potent, non-steroidal inhibitor. The structures reveal a conical, rather large and lipophilic binding site and are the starting point for structure-based inhibitor design. The two natural variants (S205 and T205) were characterized and adopt a similar structure.
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Article: Journal article
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Scientific Article
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Publication Year
2016
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2016
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0022-2623
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1520-4804
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Volume: 59,
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Pages: 6961-6967
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American Chemical Society (ACS)
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Institute(s)
Molekulare Endokrinologie und Metabolismus (MEM)
POF-Topic(s)
30201 - Metabolic Health
Research field(s)
Genetics and Epidemiology
PSP Element(s)
G-505600-001
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Erfassungsdatum
2016-07-09