5IN9

Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.

5IN9 の概要

• エントリーDOI: 10.2210/pdb5in9/pdb
• 分子名称: Endoplasmin, TRIETHYLENE GLYCOL, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: cation-pi interaction, bnim and radamide scaffold-based inhibitor, atp binding site, chaperone-inhibitor complex, chaperone/inhibitor
• 由来する生物種: Canis lupus familiaris (Dog)
• 細胞内の位置: Endoplasmic reticulum lumen: P41148
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 54545.10

構造登録者

Lieberman, R.L.,Huard, D.J.E.,Kizziah, J.L. (登録日: 2016-03-07, 公開日: 2016-05-04, 最終更新日: 2023-09-27)

• 主引用文献: Crowley, V.M.,Khandelwal, A.,Mishra, S.,Stothert, A.R.,Huard, D.J.,Zhao, J.,Muth, A.,Duerfeldt, A.S.,Kizziah, J.L.,Lieberman, R.L.,Dickey, C.A.,Blagg, B.S.; Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold.; J.Med.Chem., 59:3471-3488, 2016; PubMed: 27003516; DOI: 10.1021/acs.jmedchem.6b00085

実験手法

X-RAY DIFFRACTION (2.6 Å)