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

Summary for 8DJC

Entry DOI	10.2210/pdb8djc/pdb
Descriptor	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)
Functional Keywords	kinase, gsk3b, transferase-transferase inhibitor complex, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	99418.58
Authors	Lewis, H.A.,Muckelbauer, J.K. (deposition date: 2022-06-30, release date: 2023-03-22, Last modification date: 2024-04-03)
Primary citation	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 Cited by PubMed: 36950863 DOI: 10.1021/acs.jmedchem.3c00133 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.463 Å)

Structure validation