5J9L

Crystal structure of CPT1691 bound to TAK1-TAB1

Summary for 5J9L

• Entry DOI: 10.2210/pdb5j9l/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide (3 entities in total)
• Functional Keywords: mitogen-activated protein kinase kinase kinase 7/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: 35250.64

Authors

Gurbani, D.,Westover, K.D. (deposition date: 2016-04-10, release date: 2017-02-15, Last modification date: 2023-09-27)

• Primary citation: Tan, L.,Gurbani, D.,Weisberg, E.L.,Hunter, J.C.,Li, L.,Jones, D.S.,Ficarro, S.B.,Mowafy, S.,Tam, C.P.,Rao, S.,Du, G.,Griffin, J.D.,Sorger, P.K.,Marto, J.A.,Westover, K.D.,Gray, N.S.; Structure-guided development of covalent TAK1 inhibitors.; Bioorg. Med. Chem., 25:838-846, 2017; PubMed: 28011204; DOI: 10.1016/j.bmc.2016.11.035

Experimental method

X-RAY DIFFRACTION (2.7515 Å)