6O8I

BTK In Complex With Inhibitor

6O8I の概要

• エントリーDOI: 10.2210/pdb6o8i/pdb
• 分子名称: Tyrosine-protein kinase BTK, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide (3 entities in total)
• 機能のキーワード: protein kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• 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: 31800.52

構造登録者

Pokross, M.,Tebben, A.J.,Watterson, S.H. (登録日: 2019-03-11, 公開日: 2019-04-03, 最終更新日: 2019-04-24)

• 主引用文献: Watterson, S.H.,Liu, Q.,Beaudoin Bertrand, M.,Batt, D.G.,Li, L.,Pattoli, M.A.,Skala, S.,Cheng, L.,Obermeier, M.T.,Moore, R.,Yang, Z.,Vickery, R.,Elzinga, P.A.,Discenza, L.,D'Arienzo, C.,Gillooly, K.M.,Taylor, T.L.,Pulicicchio, C.,Zhang, Y.,Heimrich, E.,McIntyre, K.W.,Ruan, Q.,Westhouse, R.A.,Catlett, I.M.,Zheng, N.,Chaudhry, C.,Dai, J.,Galella, M.A.,Tebben, A.J.,Pokross, M.,Li, J.,Zhao, R.,Smith, D.,Rampulla, R.,Allentoff, A.,Wallace, M.A.,Mathur, A.,Salter-Cid, L.,Macor, J.E.,Carter, P.H.,Fura, A.,Burke, J.R.,Tino, J.A.; Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).; J. Med. Chem., 62:3228-3250, 2019; PubMed: 30893553; DOI: 10.1021/acs.jmedchem.9b00167

実験手法

X-RAY DIFFRACTION (1.42 Å)