4L52

Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1

Summary for 4L52

Entry DOI	10.2210/pdb4l52/pdb
Related	4L3P 4L53
Descriptor	Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone (3 entities in total)
Functional Keywords	tak1 kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human) More
Total number of polymer chains	1
Total formula weight	35168.57
Authors	Wang, J.,Hornberger, K.R.,Crew, A.P.,Jestel, A.,Maskos, K.,Moertl, M. (deposition date: 2013-06-10, release date: 2013-07-03, Last modification date: 2017-11-15)
Primary citation	Hornberger, K.R.,Berger, D.M.,Crew, A.P.,Dong, H.,Kleinberg, A.,Li, A.H.,Medeiros, M.R.,Mulvihill, M.J.,Siu, K.,Tarrant, J.,Wang, J.,Weng, F.,Wilde, V.L.,Albertella, M.,Bittner, M.,Cooke, A.,Gray, M.J.,Maresca, P.,May, E.,Meyn, P.,Peick, W.,Romashko, D.,Tanowitz, M.,Tokar, B. Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23:4517-4522, 2013 Cited by PubMed: 23850198 DOI: 10.1016/j.bmcl.2013.06.053 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.54 Å)

Structure validation