6XDD

Crystal structure of IRE1 in complex with G-3053

6XDD の概要

• エントリーDOI: 10.2210/pdb6xdd/pdb
• 分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1, 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide (3 entities in total)
• 機能のキーワード: kinase, rnase, inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 100824.98

構造登録者

Ackerly-Wallweber, H.,Wang, W. (登録日: 2020-06-10, 公開日: 2021-04-21, 最終更新日: 2023-10-18)

• 主引用文献: Beveridge, R.E.,Wallweber, H.A.,Ashkenazi, A.,Beresini, M.,Clark, K.R.,Gibbons, P.,Ghiro, E.,Kaufman, S.,Larivee, A.,Leblanc, M.,Leclerc, J.P.,Lemire, A.,Ly, C.,Rudolph, J.,Schwarz, J.B.,Srivastava, S.,Wang, W.,Zhao, L.,Braun, M.G.; Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.; Acs Med.Chem.Lett., 11:2389-2396, 2020; PubMed: 33335661; DOI: 10.1021/acsmedchemlett.0c00344

実験手法

X-RAY DIFFRACTION (2.4 Å)