8E2M

Bruton's tyrosine kinase (BTK) with compound 13

8E2M の概要

• エントリーDOI: 10.2210/pdb8e2m/pdb
• 分子名称: Tyrosine-protein kinase BTK, (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, ... (4 entities in total)
• 機能のキーワード: protein kinase, inhibitor, covalent, transferase-transferase inhibitor complex, 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: 32269.11

構造登録者

Alexander, R.,Milligan, C.M. (登録日: 2022-08-15, 公開日: 2022-11-16, 最終更新日: 2024-04-03)

• 主引用文献: Tichenor, M.S.,Wiener, J.J.M.,Rao, N.L.,Bacani, G.M.,Wei, J.,Pooley Deckhut, C.,Barbay, J.K.,Kreutter, K.D.,Chang, L.,Clancy, K.W.,Murrey, H.E.,Wang, W.,Ahn, K.,Huber, M.,Rex, E.,Coe, K.J.,Wu, J.,Rui, H.,Sepassi, K.,Gaudiano, M.,Bekkers, M.,Cornelissen, I.,Packman, K.,Seierstad, M.,Xiouras, C.,Bembenek, S.D.,Alexander, R.,Milligan, C.,Balasubramanian, S.,Lebsack, A.D.,Venable, J.D.,Philippar, U.,Edwards, J.P.,Hirst, G.; Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.; J.Med.Chem., 65:14326-14336, 2022; PubMed: 36314537; DOI: 10.1021/acs.jmedchem.2c01026

実験手法

X-RAY DIFFRACTION (1.904 Å)