3MPT
Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor
Summary for 3MPT
| Entry DOI | 10.2210/pdb3mpt/pdb |
| Descriptor | Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide, GLYCEROL, ... (4 entities in total) |
| Functional Keywords | p38, serine/threonine protein kinase, map kinase, pyrrole-2-carboxamides, inhibitor, transferase-transferase inhibiator complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (human) |
| Cellular location | Cytoplasm (By similarity): Q16539 |
| Total number of polymer chains | 1 |
| Total formula weight | 43235.35 |
| Authors | Somers, D.O. (deposition date: 2010-04-27, release date: 2010-07-07, Last modification date: 2023-09-06) |
| Primary citation | Down, K.,Bamborough, P.,Alder, C.,Campbell, A.,Christopher, J.A.,Gerelle, M.,Ludbrook, S.,Mallett, D.,Mellor, G.,Miller, D.D.,Pearson, R.,Ray, K.,Solanke, Y.,Somers, D. The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase. Bioorg.Med.Chem.Lett., 20:3936-3940, 2010 Cited by PubMed Abstract: A novel pyrrole-2-carboxamide series of p38alpha inhibitors, discovered through the application of virtual screening, is presented. Following evaluation of activity, selectivity and developability properties of commercially available analogues, a synthesis program enabled rapid assessment of the series' suitability for further lead optimisation studies. PubMed: 20570148DOI: 10.1016/j.bmcl.2010.05.011 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.89 Å) |
Structure validation
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