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Structure paper

TitleUnexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 3973-3976, Year 2011
Publish dateApr 19, 2011 (structure data deposition date)
AuthorsDuke, C.B. / Jones, A. / Bohl, C.E. / Dalton, J.T. / Miller, D.D.
External linksJ. Med. Chem. / PubMed:21506597
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-3rlj:
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3rll:
Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-RLJ:
(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide / agonist*YM

ChemComp-HOH:
WATER

ChemComp-RLL:
(2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / steroid receptor / DHT / testosterone

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