5V5N
Crystal structure of Takinib bound to TAK1
Summary for 5V5N
| Entry DOI | 10.2210/pdb5v5n/pdb |
| Descriptor | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide (3 entities in total) |
| Functional Keywords | tak1, inhibitor, hydrogen bond, dfg-in, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (Human) More |
| Total number of polymer chains | 1 |
| Total formula weight | 35103.47 |
| Authors | Gurbani, D.,Westover, K.,Bera, A.K. (deposition date: 2017-03-14, release date: 2017-08-30, Last modification date: 2023-10-04) |
| Primary citation | Totzke, J.,Gurbani, D.,Raphemot, R.,Hughes, P.F.,Bodoor, K.,Carlson, D.A.,Loiselle, D.R.,Bera, A.K.,Eibschutz, L.S.,Perkins, M.M.,Eubanks, A.L.,Campbell, P.L.,Fox, D.A.,Westover, K.D.,Haystead, T.A.J.,Derbyshire, E.R. Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease. Cell Chem Biol, 24:1029-1039.e7, 2017 Cited by PubMed: 28820959DOI: 10.1016/j.chembiol.2017.07.011 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.006 Å) |
Structure validation
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