9FR8

Crystal structure of human GSK3B in complex with ARN25565

This is a non-PDB format compatible entry.

Summary for 9FR8

• Entry DOI: 10.2210/pdb9fr8/pdb
• Descriptor: Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclobutyl-1~{H}-pyrazol-5-yl)-~{N}2-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (3 entities in total)
• Functional Keywords: kinase inhibitors, multitarget compounds, drug discovery, central nervous system, tauopathies, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 99326.52

Authors

Dalle Vedove, A.,Demuro, S.,Di Martino, R.M.C.,Balboni, B.,Tripathi, S.K.,Storici, P.,Girotto, S.,Cavalli, A. (deposition date: 2024-06-18, release date: 2026-01-14)

• Primary citation: Demuro, S.; Unveiling the pharmacophoric traits of balanced triple GSK-3B/FYN/DYRK1A inhibitors: rational design and synthesis of novel amino-pyrazole containing scaffolds for the treatment of Alzheimer's disease and related tauopathies.; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.3 Å)