4L3P

Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1

Summary for 4L3P

• Entry DOI: 10.2210/pdb4l3p/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine (3 entities in total)
• Functional Keywords: transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 1
• Total formula weight: 35936.43

Authors

Wang, J.,Hornberger, K.R.,Crew, A.P.,Steinbacher, S.,Maskos, K.,Moertl, M. (deposition date: 2013-06-06, release date: 2013-06-19, Last modification date: 2023-09-20)

• 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; PubMed: 23850198; DOI: 10.1016/j.bmcl.2013.06.053

Experimental method

X-RAY DIFFRACTION (2.68 Å)