4OTQ

Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea

4OTQ の概要

• エントリーDOI: 10.2210/pdb4otq/pdb
• 関連するPDBエントリー: 4OT5 4OT6 4OTR
• 分子名称: Tyrosine-protein kinase BTK, 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, 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: 33148.95

構造登録者

Kuglstatter, A.,Wong, A. (登録日: 2014-02-14, 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)