5VFI

Bruton's tyrosine kinase (BTK) with GDC-0853

5VFI の概要

• エントリーDOI: 10.2210/pdb5vfi/pdb
• 分子名称: Tyrosine-protein kinase BTK, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: protein kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q06187
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32951.75

構造登録者

Steinbacher, S.,Eigenbrot, C. (登録日: 2017-04-07, 公開日: 2018-02-28, 最終更新日: 2024-03-13)

• 主引用文献: Crawford, J.J.,Johnson, A.R.,Misner, D.L.,Belmont, L.D.,Castanedo, G.,Choy, R.,Coraggio, M.,Dong, L.,Eigenbrot, C.,Erickson, R.,Ghilardi, N.,Hau, J.,Katewa, A.,Kohli, P.B.,Lee, W.,Lubach, J.W.,McKenzie, B.S.,Ortwine, D.F.,Schutt, L.,Tay, S.,Wei, B.,Reif, K.,Liu, L.,Wong, H.,Young, W.B.; Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.; J. Med. Chem., 61:2227-2245, 2018; PubMed: 29457982; DOI: 10.1021/acs.jmedchem.7b01712

実験手法

X-RAY DIFFRACTION (1.59 Å)