6PX9
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
Summary for 6PX9
| Entry DOI | 10.2210/pdb6px9/pdb |
| Descriptor | Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide (3 entities in total) |
| Functional Keywords | zymogen, procaspase, covalent inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 6 |
| Total formula weight | 187585.13 |
| Authors | Xu, J.H.,Wolan, D.W. (deposition date: 2019-07-25, release date: 2020-01-29, Last modification date: 2023-10-11) |
| Primary citation | Xu, J.H.,Eberhardt, J.,Hill-Payne, B.,Gonzalez-Paez, G.E.,Castellon, J.O.,Cravatt, B.F.,Forli, S.,Wolan, D.W.,Backus, K.M. Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity. Acs Chem.Biol., 15:575-586, 2020 Cited by PubMed: 31927936DOI: 10.1021/acschembio.0c00019 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.88 Å) |
Structure validation
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