4O91
Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1
Summary for 4O91
Entry DOI | 10.2210/pdb4o91/pdb |
Descriptor | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide (3 entities in total) |
Functional Keywords | mitogen-activated protein kinase kinase kinase 7, tgf-beta-activated kinase 1 and map3k7-binding protein 1 chimera, serine/threonine kinase which acts as an essential component of the map kinase signal transduction pathway, tgf-beta-activated kinase 1 and map3k7-binding protein 1, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 1 |
Total formula weight | 36001.44 |
Authors | Gurbani, D.,Hunter, J.C.,Tan, L.,Westover, K.D. (deposition date: 2013-12-31, release date: 2014-07-30, Last modification date: 2024-02-28) |
Primary citation | Tan, L.,Nomanbhoy, T.,Gurbani, D.,Patricelli, M.,Hunter, J.,Geng, J.,Herhaus, L.,Zhang, J.,Pauls, E.,Ham, Y.,Choi, H.G.,Xie, T.,Deng, X.,Buhrlage, S.J.,Sim, T.,Cohen, P.,Sapkota, G.,Westover, K.D.,Gray, N.S. Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2). J.Med.Chem., 58:183-196, 2015 Cited by PubMed: 25075558DOI: 10.1021/jm500480k PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.393 Å) |
Structure validation
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