7WNV

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

Summary for 7WNV

• Entry DOI: 10.2210/pdb7wnv/pdb
• Descriptor: 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)
• Functional Keywords: covalent inhibitor transcription factor oncogene, nuclear protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 120025.34

Authors

Xiao, Y.,Lv, Y. (deposition date: 2022-01-19, release date: 2023-01-25, Last modification date: 2024-02-07)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.3 Å)