6EP9

Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide

6EP9 の概要

• エントリーDOI: 10.2210/pdb6ep9/pdb
• 分子名称: Tyrosine-protein kinase BTK, N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide (3 entities in total)
• 機能のキーワード: kinase-inhibitor complex, transferase
• 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: 33140.89

構造登録者

Kuglstatter, A.,Wong, A. (登録日: 2017-10-11, 公開日: 2018-08-22, 最終更新日: 2024-05-08)

• 主引用文献: Nittinger, E.,Gibbons, P.,Eigenbrot, C.,Davies, D.R.,Maurer, B.,Yu, C.L.,Kiefer, J.R.,Kuglstatter, A.,Murray, J.,Ortwine, D.F.,Tang, Y.,Tsui, V.; Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.; J.Comput.Aided Mol.Des., 33:307-330, 2019; PubMed: 30756207; DOI: 10.1007/s10822-019-00187-y

実験手法

X-RAY DIFFRACTION (2.01 Å)