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3S2P

Crystal structure of CDK2 with a 2-aminopyrimidine compound

Summary for 3S2P
Entry DOI10.2210/pdb3s2p/pdb
DescriptorCyclin-dependent kinase 2, (3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol (3 entities in total)
Functional Keywordsprotein kinase, transferase, cell division protein kinase 2, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total formula weight34306.87
Authors
Kim, K.-H.,Lee, J.,Jeong, S. (deposition date: 2011-05-17, release date: 2011-07-20, Last modification date: 2024-03-20)
Primary citationLee, J.,Kim, K.-H.,Jeong, S.
Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors
Bioorg.Med.Chem.Lett., 21:4203-4205, 2011
Cited by
PubMed Abstract: A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities.
PubMed: 21684737
DOI: 10.1016/j.bmcl.2011.05.081
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.3 Å)
Structure validation

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