8QTH

Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)

Summary for 8QTH

Entry DOI	10.2210/pdb8qth/pdb
Descriptor	E3 ubiquitin-protein ligase CBL-B, 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, ZINC ION, ... (5 entities in total)
Functional Keywords	e3 ubiquitin ligase, allosteric inhibitor, ligase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	46404.77
Authors	Schimpl, M. (deposition date: 2023-10-12, release date: 2024-01-10, Last modification date: 2024-02-07)
Primary citation	Mfuh, A.M.,Boerth, J.A.,Bommakanti, G.,Chan, C.,Chinn, A.J.,Code, E.,Fricke, P.J.,Giblin, K.A.,Gohlke, A.,Hansel, C.,Hariparsad, N.,Hughes, S.J.,Jin, M.,Kantae, V.,Kavanagh, S.L.,Lamb, M.L.,Lane, J.,Moore, R.,Puri, T.,Quinn, T.R.,Reddy, I.,Robb, G.R.,Robbins, K.J.,Gancedo Rodrigo, M.,Schimpl, M.,Singh, B.,Singh, M.,Tang, H.,Thomson, C.,Walsh, J.J.,Ware, J.,Watson, I.D.G.,Ye, M.W.,Wrigley, G.L.,Zhang, A.X.,Zhang, Y.,Grimster, N.P. Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67:1500-1512, 2024 Cited by PubMed: 38227216 DOI: 10.1021/acs.jmedchem.3c02083 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.198 Å)

Structure validation