9FQJ

E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12)

This is a non-PDB format compatible entry.

Summary for 9FQJ

• Entry DOI: 10.2210/pdb9fqj/pdb
• Descriptor: E3 ubiquitin-protein ligase CBL-B, 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, ZINC ION, ... (5 entities in total)
• Functional Keywords: ligase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 92659.47

Authors

Schimpl, M. (deposition date: 2024-06-17, release date: 2024-07-31, Last modification date: 2024-09-04)

• Primary citation: Quinn, T.R.,Giblin, K.A.,Thomson, C.,Boerth, J.A.,Bommakanti, G.,Braybrooke, E.,Chan, C.,Chinn, A.J.,Code, E.,Cui, C.,Fan, Y.,Grimster, N.P.,Kohara, K.,Lamb, M.L.,Ma, L.,Mfuh, A.M.,Robb, G.R.,Robbins, K.J.,Schimpl, M.,Tang, H.,Ware, J.,Wrigley, G.L.,Xue, L.,Zhang, Y.,Zhu, H.,Hughes, S.J.; Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.; J.Med.Chem., 67:14210-14233, 2024; PubMed: 39132828; DOI: 10.1021/acs.jmedchem.4c01034

Experimental method

X-RAY DIFFRACTION (1.563 Å)