Summary for 9MZY
| Entry DOI | 10.2210/pdb9mzy/pdb |
| Descriptor | Receptor-interacting serine/threonine-protein kinase 1, 1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-3,3-difluoro-2,2-dimethylpropan-1-one, IODIDE ION, ... (6 entities in total) |
| Functional Keywords | kinase, serine/threonine-protein kinase, inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 66512.29 |
| Authors | Palte, R.L.,Lesburg, C.A.,Maskos, K.,Thomsen, M.,Lammens, A. (deposition date: 2025-01-23, release date: 2025-05-28) |
| Primary citation | Chen, J.L.,Methot, J.L.,Mitcheltree, M.J.,Musacchio, A.,Corcoran, E.B.,Feng, G.,Lammens, A.,Maskos, K.,Palte, R.L.,Rickard, M.M.,Otte, K.M.,Mansueto, M.S.,Venkat, S.,Sondey, C.,Thomsen, M.,Lesburg, C.A.,Fradera, X.,Fell, M.J.,DiMauro, E.F.,Siliphaivanh, P. The Discovery of Bridged Benzoazepine Amides as Selective Allosteric Modulators of RIPK1. Acs Med.Chem.Lett., 16:811-818, 2025 Cited by PubMed Abstract: Receptor-interacting protein kinase 1 (RIPK1) plays an essential role in necroptosis, a form of inflammatory, caspase-independent, programmed cell death. Allosteric inhibitors of RIPK1 have been shown to block necroptotic cell death and thus may offer potential therapeutic opportunities across a range of infectious, autoimmune, and neurodegenerative diseases. We report the structure-informed discovery of a novel series of bridged benzoazepine amides as part of our efforts to develop a CNS-penetrant small-molecule inhibitor of RIPK1 with a low projected oral human dose. PubMed: 40365380DOI: 10.1021/acsmedchemlett.5c00063 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.32 Å) |
Structure validation
Download full validation report
