8VW4

Crystal structure of Cbl-b TKB bound to compound 26

This is a non-PDB format compatible entry.

Summary for 8VW4

• Entry DOI: 10.2210/pdb8vw4/pdb
• Descriptor: E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, ... (6 entities in total)
• Functional Keywords: ubiquitin ligase, e3, inhibitor, small molecule, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 73991.24

Authors

Yu, C.,Murray, J.,Hsu, P.L. (deposition date: 2024-01-31, release date: 2024-07-03)

• Primary citation: Liang, J.,Lambrecht, M.J.,Arenzana, T.L.,Aubert-Nicol, S.,Bao, L.,Broccatelli, F.,Cai, J.,Eidenschenk, C.,Everett, C.,Garner, T.,Gruber, F.,Haghshenas, P.,Huestis, M.P.,Hsu, P.L.,Kou, P.,Jakalian, A.,Larouche-Gauthier, R.,Leclerc, J.P.,Leung, D.H.,Martin, A.,Murray, J.,Prangley, M.,Rutz, S.,Kakiuchi-Kiyota, S.,Satz, A.L.,Skelton, N.J.,Steffek, M.,Stoffler, D.,Sudhamsu, J.,Tan, S.,Wang, J.,Wang, S.,Wang, Q.,Wendorff, T.J.,Wichert, M.,Yadav, A.,Yu, C.,Wang, X.; Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.; Acs Med.Chem.Lett., 15:864-872, 2024; PubMed: 38894924; DOI: 10.1021/acsmedchemlett.4c00068

Experimental method

X-RAY DIFFRACTION (2.4 Å)