3RLJ

Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22

3RLJ の概要

• エントリーDOI: 10.2210/pdb3rlj/pdb
• 関連するPDBエントリー: 3RLL
• 分子名称: Androgen receptor, (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide (3 entities in total)
• 機能のキーワード: steroid receptor, dht, testosterone, transcription
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: P10275
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29206.17

構造登録者

Bohl, C.E.,Duke, C.B.,Jones, A.,Dalton, J.T.,Miller, D.D. (登録日: 2011-04-19, 公開日: 2011-05-04, 最終更新日: 2023-09-13)

主引用文献

Duke, C.B.,Jones, A.,Bohl, C.E.,Dalton, J.T.,Miller, D.D.
Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54:3973-3976, 2011

PubMed Abstract: Several new androgen receptor antagonists were synthesized and found to have varying activities across typically anti-androgen resistant mutants (Thr877 → Ala and Trp741 → Leu) and markedly improved potency over previously reported pan-antagonists. X-ray crystallography of a new anti-androgen in an androgen receptor mutant (Thr877 → Ala) shows that the receptor can accommodate the added bulk presented by phenyl to naphthyl substitution, casting doubt on previous reports of predicted binding orientation and the causes of antagonism in bulky-B-ring antagonists.

PubMed: 21506597
DOI: 10.1021/jm2000097

実験手法

X-RAY DIFFRACTION (1.9 Å)