2c69
From Proteopedia
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|SITE= <scene name='pdbsite=AC1:Ct8+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Ct8+Binding+Site+For+Chain+A'>AC1</scene> | ||
|LIGAND= <scene name='pdbligand=CT8:(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>CT8</scene> | |LIGAND= <scene name='pdbligand=CT8:(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>CT8</scene> | ||
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/ | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c69 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c69 OCA], [http://www.ebi.ac.uk/pdbsum/2c69 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c69 RCSB]</span> | ||
}} | }} | ||
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Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR., Richardson CM, Williamson DS, Parratt MJ, Borgognoni J, Cansfield AD, Dokurno P, Francis GL, Howes R, Moore JD, Murray JB, Robertson A, Surgenor AE, Torrance CJ, Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. Epub 2005 Dec 1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16325401 16325401] | Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR., Richardson CM, Williamson DS, Parratt MJ, Borgognoni J, Cansfield AD, Dokurno P, Francis GL, Howes R, Moore JD, Murray JB, Robertson A, Surgenor AE, Torrance CJ, Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. Epub 2005 Dec 1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16325401 16325401] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| + | [[Category: Non-specific serine/threonine protein kinase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Transferred entry: 2 7.11 1]] | ||
[[Category: Dokurno, P.]] | [[Category: Dokurno, P.]] | ||
[[Category: Murray, J B.]] | [[Category: Murray, J B.]] | ||
[[Category: Richardson, C M.]] | [[Category: Richardson, C M.]] | ||
[[Category: Surgenor, A E.]] | [[Category: Surgenor, A E.]] | ||
| - | [[Category: CT8]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: cdk2]] | [[Category: cdk2]] | ||
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[[Category: triazolopyrimidine inhibitor]] | [[Category: triazolopyrimidine inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:16:56 2008'' |
Revision as of 23:16, 30 March 2008
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| , resolution 2.10Å | |||||||
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| Sites: | |||||||
| Ligands: | |||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR
Overview
Crystallographic and modelling data, in conjunction with a medicinal chemistry template-hopping approach, led to the identification of a series of novel and potent inhibitors of human cyclin-dependent kinase 2 (CDK2), with selectivity over glycogen synthase kinase-3beta (GSK-3beta). One example had a CDK2 IC(50) of 120 nM and showed selectivity over GSK-3beta of 167-fold.
About this Structure
2C69 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR., Richardson CM, Williamson DS, Parratt MJ, Borgognoni J, Cansfield AD, Dokurno P, Francis GL, Howes R, Moore JD, Murray JB, Robertson A, Surgenor AE, Torrance CJ, Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. Epub 2005 Dec 1. PMID:16325401
Page seeded by OCA on Mon Mar 31 02:16:56 2008
Categories: Homo sapiens | Non-specific serine/threonine protein kinase | Single protein | Dokurno, P. | Murray, J B. | Richardson, C M. | Surgenor, A E. | Atp-binding | Cdk2 | Cell cycle | Cell division | Kinase | Mitosis | Nucleotide-binding | Phosphorylation | Polymorphism | Serine/threonine protein kinase | Transferase | Triazolopyrimidine inhibitor
