6ITM

Crystal structure of FXR in complex with agonist XJ034

6ITM の概要

• エントリーDOI: 10.2210/pdb6itm/pdb
• 分子名称: Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1, 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, ... (4 entities in total)
• 機能のキーワード: fxr, agonist, non-alcoholic liver disease, docking screening, transcription
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 60224.08

構造登録者

Zhang, H.,Wang, Z. (登録日: 2018-11-23, 公開日: 2019-11-27, 最終更新日: 2023-11-22)

• 主引用文献: Xia, J.,Wang, Z.,Huan, Y.,Xue, W.,Wang, X.,Wang, Y.,Liu, Z.,Hsieh, J.H.,Zhang, L.,Wu, S.,Shen, Z.,Zhang, H.,Wang, X.S.; Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.; J.Chem.Inf.Model., 60:1202-1214, 2020; PubMed: 32050066; DOI: 10.1021/acs.jcim.9b01030

実験手法

X-RAY DIFFRACTION (2.5 Å)