7OY5

Crystal structure of GSK3Beta in complex with ARN25068

Summary for 7OY5

• Entry DOI: 10.2210/pdb7oy5/pdb
• Descriptor: Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: inhibitor, complex, gsk-3b, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 80799.46

Authors

Tripathi, S.K.,Balboni, B.,Demuro, S.,DiMartino, R.,Giabbai, B.,Storici, P.,Ortega, J.,Girotto, S.,Cavalli, A. (deposition date: 2021-06-23, release date: 2022-03-02, Last modification date: 2024-01-31)

• Primary citation: Demuro, S.,Sauvey, C.,Tripathi, S.K.,Di Martino, R.M.C.,Shi, D.,Ortega, J.A.,Russo, D.,Balboni, B.,Giabbai, B.,Storici, P.,Girotto, S.,Abagyan, R.,Cavalli, A.; ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.; Eur.J.Med.Chem., 229:114054-114054, 2022; PubMed: 34959172; DOI: 10.1016/j.ejmech.2021.114054

Experimental method

X-RAY DIFFRACTION (2.57 Å)