3S2P

Crystal structure of CDK2 with a 2-aminopyrimidine compound

3S2P の概要

• エントリーDOI: 10.2210/pdb3s2p/pdb
• 分子名称: Cyclin-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)
• 機能のキーワード: protein kinase, transferase, cell division protein kinase 2, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34306.87

構造登録者

Kim, K.-H.,Lee, J.,Jeong, S. (登録日: 2011-05-17, 公開日: 2011-07-20, 最終更新日: 2024-03-20)

主引用文献

Lee, 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

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

実験手法

X-RAY DIFFRACTION (2.3 Å)