3ZRL

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

Summary for 3ZRL

Entry DOI	10.2210/pdb3zrl/pdb
Related	1GNG 1H8F 1I09 1J1B 1J1C 1O6K 1O6L 1O9U 1PYX 1Q3D 1Q3W 1Q41 1Q4L 1Q5K 1R0E 1UV5 2JDO 2JDR 2JLD 2UW9 2X37 2X39 2XH5 3ZRK 3ZRM
Descriptor	GLYCOGEN SYNTHASE KINASE-3 BETA, PROTO-ONCOGENE FRAT1, SULFATE ION, ... (6 entities in total)
Functional Keywords	transferase-peptide complex, kinase, transferase/peptide
Biological source	HOMO SAPIENS (HUMAN) More
Cellular location	Cytoplasm: P49841 Q92837
Total number of polymer chains	4
Total formula weight	93084.09
Authors	Gentile, G.,Bernasconi, G.,Pozzan, A.,Merlo, G.,Marzorati, P.,Bamborough, P.,Bax, B.,Bridges, A.,Brough, C.,Carter, P.,Cutler, G.,Neu, M.,Takada, M. (deposition date: 2011-06-17, release date: 2011-06-29, Last modification date: 2024-10-23)
Primary citation	Gentile, G.,Bernasconi, G.,Pozzan, A.,Merlo, G.,Marzorati, P.,Bamborough, P.,Bax, B.,Bridges, A.,Brough, C.,Carter, P.,Cutler, G.,Neu, M.,Takada, M. Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21:4823-, 2011 Cited by PubMed Abstract: The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3β inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented. PubMed: 21764580 DOI: 10.1016/J.BMCL.2011.06.050 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.48 Å)

Structure validation