3LE6

The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor

3LE6 の概要

• エントリーDOI: 10.2210/pdb3le6/pdb
• 分子名称: Cell division protein kinase 2, 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine (3 entities in total)
• 機能のキーワード: cyclin-dependent kinase 2 drug design, atp-binding, cell cycle, cell division, kinase, mitosis, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, 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: 34328.24

構造登録者

Lukacs, C.M.,Swain, A.,Crowther, R.L.,Kammlott, R.U.,Liu, J.J. (登録日: 2010-01-14, 公開日: 2010-11-17, 最終更新日: 2024-02-21)

主引用文献

Liu, J.J.,Daniewski, I.,Ding, Q.,Higgins, B.,Ju, G.,Kolinsky, K.,Konzelmann, F.,Lukacs, C.,Pizzolato, G.,Rossman, P.,Swain, A.,Thakkar, K.,Wei, C.C.,Miklowski, D.,Yang, H.,Yin, X.,Wovkulich, P.M.
Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20:5984-5987, 2010

PubMed Abstract: A novel series of pyrazolobenzodiazepines 3 has been identified as potent inhibitors of cyclin-dependent kinase 2 (CDK2). Their synthesis and structure-activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK2 activity in vitro, and block cell cycle progression in human tumor cell lines. Further exploration has revealed that this class of compounds inhibits several kinases that play critical roles in cancer cell growth and division as well as tumor angiogenesis. Together, these properties suggest a compelling basis for their use as antitumor agents.

PubMed: 20832307
DOI: 10.1016/j.bmcl.2010.08.079

実験手法

X-RAY DIFFRACTION (2 Å)