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 Cited by PubMed: 37235865DOI: 10.1021/acs.jmedchem.3c00364 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.33 Å) |
Structure validation
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