6X3P

Co-structure of BTK kinase domain with L-005298385 inhibitor

6X3P の概要

• エントリーDOI: 10.2210/pdb6x3p/pdb
• 分子名称: Tyrosine-protein kinase BTK, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: bruton tyrosine kinase inhibitor, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33052.76

構造登録者

Fischmann, T.O. (登録日: 2020-05-21, 公開日: 2020-07-22, 最終更新日: 2024-03-06)

• 主引用文献: Liu, J.,Guiadeen, D.,Krikorian, A.,Gao, X.,Wang, J.,Babu Boga, S.,Alhassan, A.B.,Yu, W.,Selyutin, O.,Yu, Y.,Anand, R.,Xu, J.,Kelly, J.,Duffy, J.L.,Liu, S.,Yang, C.,Wu, H.,Cai, J.,Bennett, C.,Maloney, K.M.,Tyagarajan, S.,Gao, Y.D.,Fischmann, T.O.,Presland, J.,Mansueto, M.,Xu, Z.,Leccese, E.,Zhang-Hoover, J.,Knemeyer, I.,Garlisi, C.G.,Stivers, P.,Brandish, P.E.,Hicks, A.,Kim, R.,Kozlowski, J.A.; Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.; Bioorg.Med.Chem.Lett., 30:127390-127390, 2020; PubMed: 32738973; DOI: 10.1016/j.bmcl.2020.127390

実験手法

X-RAY DIFFRACTION (1.34 Å)