4L53

Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1

Summary for 4L53

• Entry DOI: 10.2210/pdb4l53/pdb
• Related: 4L3P 4L52
• Descriptor: Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexanol, 1,2-ETHANEDIOL, ... (4 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: 35300.12

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: 2024-02-28)

• Primary citation: Hornberger, K.R.,Chen, X.,Crew, A.P.,Kleinberg, A.,Ma, L.,Mulvihill, M.J.,Wang, J.,Wilde, V.L.,Albertella, M.,Bittner, M.,Cooke, A.,Kadhim, S.,Kahler, J.,Maresca, P.,May, E.,Meyn, P.,Romashko, D.,Tokar, B.,Turton, R.; Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.; Bioorg.Med.Chem.Lett., 23:4511-4516, 2013; PubMed: 23856049; DOI: 10.1016/j.bmcl.2013.06.054

Experimental method

X-RAY DIFFRACTION (2.55 Å)