8QNH

Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)

Summary for 8QNH

• Entry DOI: 10.2210/pdb8qnh/pdb
• Descriptor: E3 ubiquitin-protein ligase CBL-B, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, ZINC ION, ... (5 entities in total)
• Functional Keywords: e3 ubiquitin ligase, allosteric inhibition, structure based drug design, ligase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 46500.94

Authors

Schimpl, M. (deposition date: 2023-09-26, release date: 2023-11-22, Last modification date: 2024-01-03)

• Primary citation: Boerth, J.A.,Chinn, A.J.,Schimpl, M.,Bommakanti, G.,Chan, C.,Code, E.L.,Giblin, K.A.,Gohlke, A.,Hansel, C.S.,Jin, M.,Kavanagh, S.L.,Lamb, M.L.,Lane, J.S.,Larner, C.J.B.,Mfuh, A.M.,Moore, R.K.,Puri, T.,Quinn, T.R.,Ye, M.,Robbins, K.J.,Gancedo-Rodrigo, M.,Tang, H.,Walsh, J.,Ware, J.,Wrigley, G.L.,Reddy, I.K.,Zhang, Y.,Grimster, N.P.; Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.; Acs Med.Chem.Lett., 14:1848-1856, 2023; PubMed: 38116444; DOI: 10.1021/acsmedchemlett.3c00439

Experimental method

X-RAY DIFFRACTION (2.001 Å)