6C4D

Structure based design of RIP1 kinase inhibitors

6C4D の概要

• エントリーDOI: 10.2210/pdb6c4d/pdb
• 分子名称: Receptor-interacting serine/threonine-protein kinase 1, (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile (3 entities in total)
• 機能のキーワード: human ripk1 kinase, cell cycle, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q13546
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 136230.65

構造登録者

Saikatendu, K.S.,Yoshikawa, M. (登録日: 2018-01-11, 公開日: 2018-03-21, 最終更新日: 2024-03-13)

• 主引用文献: Yoshikawa, M.,Saitoh, M.,Katoh, T.,Seki, T.,Bigi, S.V.,Shimizu, Y.,Ishii, T.,Okai, T.,Kuno, M.,Hattori, H.,Watanabe, E.,Saikatendu, K.S.,Zou, H.,Nakakariya, M.,Tatamiya, T.,Nakada, Y.,Yogo, T.; Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.; J. Med. Chem., 61:2384-2409, 2018; PubMed: 29485864; DOI: 10.1021/acs.jmedchem.7b01647

実験手法

X-RAY DIFFRACTION (2.52 Å)