3LE6
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
Summary for 3LE6
| Entry DOI | 10.2210/pdb3le6/pdb |
| Descriptor | Cell division protein kinase 2, 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine (3 entities in total) |
| Functional Keywords | 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 |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 34328.24 |
| Authors | Lukacs, C.M.,Swain, A.,Crowther, R.L.,Kammlott, R.U.,Liu, J.J. (deposition date: 2010-01-14, release date: 2010-11-17, Last modification date: 2024-02-21) |
| Primary citation | 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 Cited by 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: 20832307DOI: 10.1016/j.bmcl.2010.08.079 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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