4AUA

Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)

Summary for 4AUA

Entry DOI	10.2210/pdb4aua/pdb
Related	1BI7 1BI8 1BLX 1G3N 1JOW 1XO2 2EUF 2F2C
Descriptor	CYCLIN-DEPENDENT KINASE 6, 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone (3 entities in total)
Functional Keywords	transferase
Biological source	HOMO SAPIENS (HUMAN)
Total number of polymer chains	1
Total formula weight	35230.43
Authors	Cho, Y.S.,Angove, H.,Brain, C.,Chen, C.H.T.,Cheng, R.,Chopra, R.,Chung, K.,Congreve, M.,Dagostin, C.,Davis, D.,Feltell, R.,Giraldes, J.,Hiscock, S.,Kim, S.,Kovats, S.,Lagu, B.,Lewry, K.,Loo, A.,Lu, Y.,Luzzio, M.,Maniara, W.,Mcmenamin, R.,Mortenson, P.,Benning, R.,O'Reilly, M.,Rees, D.,Shen, J.,Smith, T.,Wang, Y.,Williams, G.,Woolford, A.,Wrona, W.,Xu, M.,Yang, F.,Howard, S. (deposition date: 2012-05-15, release date: 2013-02-06, Last modification date: 2019-04-03)
Primary citation	Cho, Y.S.,Angove, H.,Brain, C.,Chen, C.H.,Cheng, H.,Cheng, R.,Chopra, R.,Chung, K.,Congreve, M.,Dagostin, C.,Davis, D.J.,Feltell, R.,Giraldes, J.,Hiscock, S.D.,Kim, S.,Kovats, S.,Lagu, B.,Lewry, K.,Loo, A.,Lu, Y.,Luzzio, M.,Maniara, W.,McMenamin, R.,Mortenson, P.N.,Benning, R.,O'Reilly, M.,Rees, D.C.,Shen, J.,Smith, T.,Wang, Y.,Williams, G.,Woolford, A.J.,Wrona, W.,Xu, M.,Yang, F.,Howard, S. Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3:445-449, 2012 Cited by PubMed: 24900493 DOI: 10.1021/ml200241a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.31 Å)

Structure validation