6MNY

Crystal structure of mouse BTK kinase domain in complex with compound 9a

6MNY の概要

• エントリーDOI: 10.2210/pdb6mny/pdb
• 分子名称: Tyrosine-protein kinase, 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide (3 entities in total)
• 機能のキーワード: kinase, drug design, transferase
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64513.87

構造登録者

Han, S.,Caspers, N.,Ohren, J.O. (登録日: 2018-10-03, 公開日: 2019-01-30)

• 主引用文献: Schnute, M.E.,Benoit, S.E.,Buchler, I.P.,Caspers, N.,Grapperhaus, M.L.,Han, S.,Hotchandani, R.,Huang, N.,Hughes, R.O.,Juba, B.M.,Kim, K.H.,Liu, E.,McCarthy, E.,Messing, D.,Miyashiro, J.S.,Mohan, S.,O'Connell, T.N.,Ohren, J.F.,Parikh, M.D.,Schmidt, M.,Selness, S.R.,Springer, J.R.,Thanabal, V.,Trujillo, J.I.,Walker, D.P.,Wan, Z.K.,Withka, J.M.,Wittwer, A.J.,Wood, N.L.,Xing, L.,Zapf, C.W.,Douhan III, J.; Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.; ACS Med Chem Lett, 10:80-85, 2019; PubMed: 30655951; DOI: 10.1021/acsmedchemlett.8b00461

実験手法

X-RAY DIFFRACTION (2.8 Å)