7NWK

Crystal structure of CDK9-Cyclin T1 bound by compound 6

Summary for 7NWK

• Entry DOI: 10.2210/pdb7nwk/pdb
• Descriptor: Cyclin-dependent kinase 9, Cyclin-T1, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide (3 entities in total)
• Functional Keywords: inhibitor, kinase, transferase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 68364.78

Authors

Collie, G.W.,Ferguson, A.D. (deposition date: 2021-03-16, release date: 2021-10-27, Last modification date: 2021-11-10)

• Primary citation: Barlaam, B.,De Savi, C.,Dishington, A.,Drew, L.,Ferguson, A.D.,Ferguson, D.,Gu, C.,Hande, S.,Hassall, L.,Hawkins, J.,Hird, A.W.,Holmes, J.,Lamb, M.L.,Lister, A.S.,McGuire, T.M.,Moore, J.E.,O'Connell, N.,Patel, A.,Pike, K.G.,Sarkar, U.,Shao, W.,Stead, D.,Varnes, J.G.,Vasbinder, M.M.,Wang, L.,Wu, L.,Xue, L.,Yang, B.,Yao, T.; Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.; J.Med.Chem., 64:15189-15213, 2021; PubMed: 34647738; DOI: 10.1021/acs.jmedchem.1c01249

Experimental method

X-RAY DIFFRACTION (2.81 Å)