7WNV

Crystal structure of mutant estrogen receptor alpha Y537S in complex with CO9

7WNV の概要

• エントリーDOI: 10.2210/pdb7wnv/pdb
• 分子名称: Estrogen receptor, (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide (3 entities in total)
• 機能のキーワード: covalent inhibitor transcription factor oncogene, nuclear protein
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 120025.34

構造登録者

Xiao, Y.,Lv, Y. (登録日: 2022-01-19, 公開日: 2023-01-25, 最終更新日: 2024-02-07)

• 主引用文献: Bai, C.,Lv, Y.,Xiong, S.,Wu, S.,Qi, L.,Ren, S.,Zhu, M.,Dong, H.,Shen, H.,Li, Z.,Zhu, Y.,Ye, H.,Hao, H.,Xiao, Y.,Xiang, H.,Luo, G.; X-ray crystallography study and optimization of novel benzothiophene analogs as potent selective estrogen receptor covalent antagonists (SERCAs) with improved potency and safety profiles.; Bioorg.Chem., 141:106919-106919, 2023; PubMed: 37871388; DOI: 10.1016/j.bioorg.2023.106919

実験手法

X-RAY DIFFRACTION (2.3 Å)