6BIK

BTK complex with compound 7

6BIK の概要

• エントリーDOI: 10.2210/pdb6bik/pdb
• 関連するPDBエントリー: 6AUA 6AUB 6BKE 6BKH 6BKW 6BLN 6EP9
• 分子名称: Tyrosine-protein kinase BTK, SULFATE ION, 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, ... (5 entities in total)
• 機能のキーワード: btk, inhibitor, water structure, kinase, signaling protein
• 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: 34855.68

構造登録者

Kiefer, J.R.,Eigenbrot, C.,Yu, C.L. (登録日: 2017-11-02, 公開日: 2018-11-07, 最終更新日: 2019-03-27)

• 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 (1.901 Å)