1H07

CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor

Summary for 1H07

• Entry DOI: 10.2210/pdb1h07/pdb
• Related: 1AQ1 1B38 1B39 1BUH 1CKP 1DI8 1DM2 1E1V 1E1X 1E9H 1F5Q 1FIN 1FQ1 1FVT 1FVV 1G5S 1GIH 1GII 1GIJ 1GY3 1GZ8 1H00 1H01 1H06 1H08 1HCK 1HCL 1JST 1JSU 1JSV 1JVP 1QMZ
• Descriptor: CELL DIVISION PROTEIN KINASE 2, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ... (4 entities in total)
• Functional Keywords: serine/threonine-protein kinase, mitosis, transferase
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 35025.35

Authors

Beattie, J.F.,Breault, G.A.,Ellston, R.P.A.,Green, S.,Jewsbury, P.J.,Midgley, C.J.,Naven, R.T.,Minshull, C.A.,Pauptit, R.A.,Tucker, J.A.,Pease, J.E. (deposition date: 2002-06-11, release date: 2003-07-11, Last modification date: 2024-10-16)

Primary citation

Beattie, J.F.,Breault, G.A.,Ellston, R.P.A.,Green, S.,Jewsbury, P.J.,Midgley, C.J.,Naven, R.T.,Minshull, C.A.,Pauptit, R.A.,Tucker, J.A.,Pease, J.E.
Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13:2955-, 2003

PubMed Abstract: Using a high-throughput screening campaign, we identified the 4,6-bis anilino pyrimidines as inhibitors of the cyclin-dependent kinase, CDK4. Herein we describe the further chemical modification and use of X-ray crystallography to develop potent and selective in vitro inhibitors of CDK4.

PubMed: 12941311
DOI: 10.1016/S0960-894X(03)00202-6

Experimental method

X-RAY DIFFRACTION (1.85 Å)