4X7O

Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor

4X7O の概要

• エントリーDOI: 10.2210/pdb4x7o/pdb
• 関連するPDBエントリー: 4X7H 4X7J 4X7K 4X7L 4X7N
• 分子名称: Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone (3 entities in total)
• 機能のキーワード: catalytic domain, transferase-transferase inhibitor, complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Endoplasmic reticulum membrane; Single-pass type I membrane protein: Q9NZJ5
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37299.82

構造登録者

Shaffer, P.L.,Long, A.M.,Chen, H. (登録日: 2014-12-09, 公開日: 2015-01-28, 最終更新日: 2023-09-27)

• 主引用文献: Smith, A.L.,Andrews, K.L.,Beckmann, H.,Bellon, S.F.,Beltran, P.J.,Booker, S.,Chen, H.,Chung, Y.A.,D'Angelo, N.D.,Dao, J.,Dellamaggiore, K.R.,Jaeckel, P.,Kendall, R.,Labitzke, K.,Long, A.M.,Materna-Reichelt, S.,Mitchell, P.,Norman, M.H.,Powers, D.,Rose, M.,Shaffer, P.L.,Wu, M.M.,Lipford, J.R.; Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).; J.Med.Chem., 58:1426-1441, 2015; PubMed: 25587754; DOI: 10.1021/jm5017494

実験手法

X-RAY DIFFRACTION (2.65 Å)