4OT5

Crystal structure of BTK kinase domain complexed with 4-tert-Butyl-N-(3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide

4OT5 の概要

• エントリーDOI: 10.2210/pdb4ot5/pdb
• 関連するPDBエントリー: 4OT6 4OTQ 4OTR
• 分子名称: Tyrosine-protein kinase BTK, 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: transferase-transferase inhibitor complex, transferase/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: 33265.12

構造登録者

Kuglstatter, A.,Wong, A. (登録日: 2014-02-13, 公開日: 2014-05-14, 最終更新日: 2023-09-20)

• 主引用文献: Lou, Y.,Han, X.,Kuglstatter, A.,Kondru, R.K.,Sweeney, Z.K.,Soth, M.,McIntosh, J.,Litman, R.,Suh, J.,Kocer, B.,Davis, D.,Park, J.,Frauchiger, S.,Dewdney, N.,Zecic, H.,Taygerly, J.P.,Sarma, K.,Hong, J.,Hill, R.J.,Gabriel, T.,Goldstein, D.M.,Owens, T.D.; Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.; J.Med.Chem., 58:512-516, 2015; PubMed: 24712864; DOI: 10.1021/jm500305p

実験手法

X-RAY DIFFRACTION (1.55 Å)