3T9T

Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline

3T9T の概要

• エントリーDOI: 10.2210/pdb3t9t/pdb
• 分子名称: Tyrosine-protein kinase ITK/TSK, (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: kinase domain, alpha/beta, atp binding, phosphorylation, intracellular, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: Q08881
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31075.49

構造登録者

Han, S.,Caspers, N. (登録日: 2011-08-03, 公開日: 2011-10-12, 最終更新日: 2024-03-06)

• 主引用文献: Kim, K.H.,Maderna, A.,Schnute, M.E.,Hegen, M.,Mohan, S.,Miyashiro, J.,Lin, L.,Li, E.,Keegan, S.,Lussier, J.,Wrocklage, C.,Nickerson-Nutter, C.L.,Wittwer, A.J.,Soutter, H.,Caspers, N.,Han, S.,Kurumbail, R.,Dunussi-Joannopoulos, K.,Douhan, J.,Wissner, A.; Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.; Bioorg.Med.Chem.Lett., 21:6258-6263, 2011; PubMed: 21958547; DOI: 10.1016/j.bmcl.2011.09.008

実験手法

X-RAY DIFFRACTION (1.65 Å)