3EZR
CDK-2 with indazole inhibitor 17 bound at its active site
Summary for 3EZR
| Entry DOI | 10.2210/pdb3ezr/pdb |
| Related | 3EZV |
| Descriptor | Cell division protein kinase 2, 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline (3 entities in total) |
| Functional Keywords | kinase, pkc, protein kinase, inhibitor, atp-binding, cell cycle, cell division, mitosis, nucleotide-binding, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (Human) |
| Cellular location | Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: P24941 |
| Total number of polymer chains | 1 |
| Total formula weight | 35027.70 |
| Authors | Kiefer, J.R.,Day, J.E.,Caspers, N.L.,Mathis, K.J.,Kretzmer, K.K.,Weinberg, R.A.,Reitz, B.A.,Stegeman, R.A.,Trujillo, J.I.,Huang, W.,Thorarensen, A.,Xing, L.,Wrightstone, A.,Christine, L.,Compton, R.,Li, X. (deposition date: 2008-10-23, release date: 2009-02-03, Last modification date: 2023-12-27) |
| Primary citation | Trujillo, J.I.,Kiefer, J.R.,Huang, W.,Thorarensen, A.,Xing, L.,Caspers, N.L.,Day, J.E.,Mathis, K.J.,Kretzmer, K.K.,Reitz, B.A.,Weinberg, R.A.,Stegeman, R.A.,Wrightstone, A.,Christine, L.,Compton, R.,Li, X. 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19:908-911, 2009 Cited by PubMed Abstract: The inhibition of PKC-zeta has been proposed to be a potential drug target for immune and inflammatory diseases. A series of 2-(6-phenyl-1H indazol-3-yl)-1H-benzo[d]imidazoles with initial high crossover to CDK-2 has been optimized to afford potent and selective inhibitors of protein kinase c-zeta (PKC-zeta). The determination of the crystal structures of key inhibitor:CDK-2 complexes informed the design and analysis of the series. The most selective and potent analog was identified by variation of the aryl substituent at the 6-position of the indazole template to give a 4-NH(2) derivative. The analog displays good selectivity over other PKC isoforms (alpha, betaII, gamma, delta, epsilon, mu, theta, eta and iota/lambda) and CDK-2, however it displays marginal selectivity against a panel of other kinases (37 profiled). PubMed: 19097791DOI: 10.1016/j.bmcl.2008.11.105 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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