7CBX
Crystal structure of MAP2K7 complexed with a covalent inhibitor 12
Summary for 7CBX
| Entry DOI | 10.2210/pdb7cbx/pdb |
| Descriptor | Dual specificity mitogen-activated protein kinase kinase 7, 3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide, GLYCEROL, ... (4 entities in total) |
| Functional Keywords | protein kinase, inhibitor, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 37288.10 |
| Authors | Kinoshita, T.,Murakawa, Y. (deposition date: 2020-06-15, release date: 2020-09-30, Last modification date: 2023-11-29) |
| Primary citation | Murakawa, Y.,Valter, S.,Barr, H.,London, N.,Kinoshita, T. Structural basis for producing selective MAP2K7 inhibitors. Bioorg.Med.Chem.Lett., 30:127546-127546, 2020 Cited by PubMed Abstract: Mitogen-activated protein kinase kinase 7 (MAP2K7) in the c-Jun N-terminal kinase signal cascade is an attractive drug target for a variety of diseases. The selectivity of MAP2K7 inhibitors against off-target kinases is a major barrier in drug development. We report a crystal structure of MAP2K7 complexed with a potent covalent inhibitor bearing an acrylamide moiety as an electrophile, which discloses a structural basis for producing selective and potent MAP2K7 inhibitors. PubMed: 32931911DOI: 10.1016/j.bmcl.2020.127546 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.061 Å) |
Structure validation
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