6DF6

Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab

6DF6 の概要

• エントリーDOI: 10.2210/pdb6df6/pdb
• 分子名称: Estrogen receptor, (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: era, antagonist, inverse agonist, receptor, breast cancer, degrader, ligand, estrogen receptor, 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: 130063.51

構造登録者

Kiefer, J.R.,Vinogradova, M.,Liang, J.,Zhang, B.,Ortwine, D.F.,Nettles, K.W.,Nwachukwu, J.C. (登録日: 2018-05-14, 公開日: 2019-02-20, 最終更新日: 2024-03-13)

• 主引用文献: Zhang, B.,Kiefer, J.R.,Blake, R.A.,Chang, J.H.,Hartman, S.,Ingalla, E.R.,Kleinheinz, T.,Mody, V.,Nannini, M.,Ortwine, D.F.,Ran, Y.,Sambrone, A.,Sampath, D.,Vinogradova, M.,Zhong, Y.,Nwachukwu, J.C.,Nettles, K.W.,Lai, T.,Liao, J.,Zheng, X.,Chen, H.,Wang, X.,Liang, J.; Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.; Bioorg. Med. Chem. Lett., 29:905-911, 2019; PubMed: 30732944; DOI: 10.1016/j.bmcl.2019.01.036

実験手法

X-RAY DIFFRACTION (2.5 Å)