8QNI

Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)

Summary for 8QNI

Entry DOI	10.2210/pdb8qni/pdb
Descriptor	E3 ubiquitin-protein ligase CBL-B, 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-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	46432.86
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: 38116444 DOI: 10.1021/acsmedchemlett.3c00439 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.483 Å)

Structure validation