5U9D

Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library

5U9D の概要

• エントリーDOI: 10.2210/pdb5u9d/pdb
• 分子名称: Tyrosine-protein kinase BTK, (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: brutons tyrosine kinase, btk, protein kinase, dna encoded library, proteros biostructures gmbh, antitumor protein
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q06187
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32477.25

構造登録者

Cuozzo, J.W.,Centrella, P.A.,Gikunju, D.,Habeshian, S.,Hupp, C.D.,Keefe, A.D.,Sigel, E.,Soutter, H.H.,Thomson, H.A.,Zhang, Y.,Clark, M.A. (登録日: 2016-12-16, 公開日: 2017-01-18, 最終更新日: 2024-03-06)

• 主引用文献: Cuozzo, J.W.,Centrella, P.A.,Gikunju, D.,Habeshian, S.,Hupp, C.D.,Keefe, A.D.,Sigel, E.A.,Soutter, H.H.,Thomson, H.A.,Zhang, Y.,Clark, M.A.; Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library.; Chembiochem, 18:864-871, 2017; PubMed: 28056160; DOI: 10.1002/cbic.201600573

実験手法

X-RAY DIFFRACTION (1.33 Å)