8QNG
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
Summary for 8QNG
Entry DOI | 10.2210/pdb8qng/pdb |
Descriptor | E3 ubiquitin-protein ligase CBL-B, 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, 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 | 46417.84 |
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 Cited by PubMed: 38116444DOI: 10.1021/acsmedchemlett.3c00439 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.197 Å) |
Structure validation
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