2EWP

Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domaind with tamoxifen analog GSK5182

2EWP の概要

• エントリーDOI: 10.2210/pdb2ewp/pdb
• 分子名称: Estrogen-related receptor gamma, (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL (3 entities in total)
• 機能のキーワード: tamoxifen, err, estrogen related receptor, orphan receptor, transcription
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : P62508
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 130376.81

構造登録者

Nolte, R.T. (登録日: 2005-11-04, 公開日: 2006-05-09, 最終更新日: 2024-04-03)

主引用文献

Chao, E.Y.,Collins, J.L.,Gaillard, S.,Miller, A.B.,Wang, L.,Orband-Miller, L.A.,Nolte, R.T.,McDonnell, D.P.,Willson, T.M.,Zuercher, W.J.
Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
Bioorg.Med.Chem.Lett., 16:821-824, 2006

PubMed Abstract: The design and synthesis of 4-hydroxytamoxifen (4-OHT) derivatives are described. The binding affinities of these compounds toward the orphan estrogen-related receptor gamma and the classical estrogen receptor alpha demonstrate that analogs bearing hydroxyalkyl groups display improved binding selectivity profiles compared with that of 4-OHT. An X-ray crystal structure of one of the designed compounds bound to ERRgamma LBD confirms the molecular basis of the selectivity.

PubMed: 16307879
DOI: 10.1016/j.bmcl.2005.11.030

実験手法

X-RAY DIFFRACTION (2.3 Å)