8FF8

CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-CARBOXAMIDE

Summary for 8FF8

• Entry DOI: 10.2210/pdb8ff8/pdb
• Descriptor: Glycogen synthase kinase-3 beta, 2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide (3 entities in total)
• Functional Keywords: gsk3beta, kinase, ligand inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 99374.48

Authors

Muckelbauer, J.K.,Lewis, H.A. (deposition date: 2022-12-08, release date: 2023-06-07, Last modification date: 2024-05-22)

• Primary citation: Hartz, R.A.,Ahuja, V.T.,Luo, G.,Chen, L.,Sivaprakasam, P.,Xiao, H.,Krause, C.M.,Clarke, W.J.,Xu, S.,Tokarski, J.S.,Kish, K.,Lewis, H.,Szapiel, N.,Ravirala, R.,Mutalik, S.,Nakmode, D.,Shah, D.,Burton, C.R.,Macor, J.E.,Dubowchik, G.M.; Discovery of 2-(Anilino)pyrimidine-4-carboxamides as Highly Potent, Selective, and Orally Active Glycogen Synthase Kinase-3 (GSK-3) Inhibitors.; J.Med.Chem., 66:7534-7552, 2023; PubMed: 37235865; DOI: 10.1021/acs.jmedchem.3c00364

Experimental method

X-RAY DIFFRACTION (2.33 Å)