8DJD

CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE

8DJD の概要

• エントリーDOI: 10.2210/pdb8djd/pdb
• 分子名称: Glycogen synthase kinase-3 beta, 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide (3 entities in total)
• 機能のキーワード: kinase, gsk3b, transferase-transferase inhibitor complex, 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: 99306.44

構造登録者

Lewis, H.A.,Muckelbauer, J.K. (登録日: 2022-06-30, 公開日: 2023-03-22, 最終更新日: 2024-04-03)

• 主引用文献: Luo, G.,Chen, L.,Jacutin-Porte, S.,Han, Y.,Burton, C.R.,Xiao, H.,Krause, C.M.,Cao, Y.,Liu, N.,Kish, K.,Lewis, H.A.,Macor, J.E.,Dubowchik, G.M.; Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.; Bioorg.Med.Chem.Lett., 81:129143-129143, 2023; PubMed: 36669575; DOI: 10.1016/j.bmcl.2023.129143

実験手法

X-RAY DIFFRACTION (2.205 Å)