8DJC

CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

8DJC の概要

• エントリーDOI: 10.2210/pdb8djc/pdb
• 分子名称: Glycogen synthase kinase-3 beta, (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-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: 99418.58

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: Hartz, R.A.,Ahuja, V.T.,Sivaprakasam, P.,Xiao, H.,Krause, C.M.,Clarke, W.J.,Kish, K.,Lewis, H.,Szapiel, N.,Ravirala, R.,Mutalik, S.,Nakmode, D.,Shah, D.,Burton, C.R.,Macor, J.E.,Dubowchik, G.M.; Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.; J.Med.Chem., 66:4231-4252, 2023; PubMed: 36950863; DOI: 10.1021/acs.jmedchem.3c00133

実験手法

X-RAY DIFFRACTION (2.463 Å)