4WPN
Structure of human ALDH1A1 with inhibitor CM053
Summary for 4WPN
| Entry DOI | 10.2210/pdb4wpn/pdb |
| Descriptor | Retinal dehydrogenase 1, 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide, CHLORIDE ION, ... (5 entities in total) |
| Functional Keywords | oxidoreductase enzyme inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 55767.54 |
| Authors | Morgan, C.A.,Hurley, T.D. (deposition date: 2014-10-20, release date: 2015-02-11, Last modification date: 2023-12-27) |
| Primary citation | Morgan, C.A.,Hurley, T.D. Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58:1964-1975, 2015 Cited by PubMed: 25634381DOI: 10.1021/jm501900s PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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