Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
Journal, issue, pages	J. Med. Chem., Vol. 67, Page 14210-14233, Year 2024
Publish date	Jun 17, 2024 (structure data deposition date)
Authors	Quinn, T.R. / Giblin, K.A. / Thomson, C. / Boerth, J.A. / Bommakanti, G. / Braybrooke, E. / Chan, C. / Chinn, A.J. / Code, E. / Cui, C. ...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.
External links	J. Med. Chem. / PubMed:39132828
Methods	X-ray diffraction
Resolution	1.563 - 1.954 Å
Structure data	PDB-9fqh: E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) Method: X-RAY DIFFRACTION / Resolution: 1.786 Å PDB-9fqi: E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) Method: X-RAY DIFFRACTION / Resolution: 1.954 Å PDB-9fqj: E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) Method: X-RAY DIFFRACTION / Resolution: 1.563 Å
Chemicals	PDB-1iew: Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme Exo1 in complex with 2-deoxy-2-fluoro-alpha-D-glucoside ChemComp-ZN: Unknown entry ChemComp-NA: Unknown entry ChemComp-HOH: WATER PDB-1iev: CRYSTAL STRUCTURE OF BARLEY BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1 IN COMPLEX WITH CYCLOHEXITOL PDB-1ie5: NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE.
Source	homo sapiens (human)
Keywords	LIGASE