7L5P

Crystal structure of the covalently bonded complex of rilzabrutinib with BTK

7L5P の概要

• エントリーDOI: 10.2210/pdb7l5p/pdb
• 分子名称: Tyrosine-protein kinase BTK, (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: protein kinase inhibitor, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64940.42

構造登録者

Bradshaw, J.M.,Brameld, K.A.,Mrosek, M.,Lammens, A.,Blaesse, M. (登録日: 2020-12-22, 公開日: 2022-06-29, 最終更新日: 2024-04-03)

• 主引用文献: Owens, T.D.; The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases; To Be Published,

実験手法

X-RAY DIFFRACTION (2.14 Å)