2c6o: Difference between revisions
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|PDB= 2c6o |SIZE=350|CAPTION= <scene name='initialview01'>2c6o</scene>, resolution 2.10Å | |PDB= 2c6o |SIZE=350|CAPTION= <scene name='initialview01'>2c6o</scene>, resolution 2.10Å | ||
|SITE= <scene name='pdbsite=AC1:4sp+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:4sp+Binding+Site+For+Chain+A'>AC1</scene> | ||
|LIGAND= <scene name='pdbligand=4SP:O6-CYCLOHEXYLMETHOXY-2-(4 | |LIGAND= <scene name='pdbligand=4SP:O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE'>4SP</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37] | |ACTIVITY= [http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37] | ||
|GENE= | |GENE= | ||
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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 Sun Mar 23 14:50:37 2008'' | ||
Revision as of 12:50, 23 March 2008
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| 2c6o, resolution 2.10Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | 4SP | ||||||||||||
| Activity: | Transferred entry: 2.7.11.1, with EC number 2.7.1.37 | ||||||||||||
| 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
2C6O 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
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