7NTH

Structure of TAK1 in complex with compound 54

Summary for 7NTH

Entry DOI	10.2210/pdb7nth/pdb
Descriptor	Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, GLYCEROL, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	kinase, inhibitor, transferase
Biological source	Homo sapiens (Human) More
Total number of polymer chains	1
Total formula weight	36413.84
Authors	Veerman, J.J.N.,Bruseker, Y.B.,Damen, E.,Heijne, E.H.,van Bruggen, W.,Hekking, K.F.W.,Winkel, R.,Hupp, C.D.,Keefe, A.D.,Liu, J.,Thomson, H.A.,Zhang, Y.,Cuozzo, J.W.,McRiner, A.J.,Mulvihill, M.J.,van Rijnsbergen, P.,Zech, B.,Renzetti, L.M.,Babiss, L.,Mueller, G. (deposition date: 2021-03-09, release date: 2021-04-07, Last modification date: 2021-05-05)
Primary citation	Veerman, J.J.N.,Bruseker, Y.B.,Damen, E.,Heijne, E.H.,van Bruggen, W.,Hekking, K.F.W.,Winkel, R.,Hupp, C.D.,Keefe, A.D.,Liu, J.,Thomson, H.A.,Zhang, Y.,Cuozzo, J.W.,McRiner, A.J.,Mulvihill, M.J.,van Rijnsbergen, P.,Zech, B.,Renzetti, L.M.,Babiss, L.,Muller, G. Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12:555-562, 2021 Cited by PubMed: 33859795 DOI: 10.1021/acsmedchemlett.0c00547 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.97 Å)

Structure validation