2c6o

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|PDB= 2c6o |SIZE=350|CAPTION= <scene name='initialview01'>2c6o</scene>, resolution 2.10&Aring;
|PDB= 2c6o |SIZE=350|CAPTION= <scene name='initialview01'>2c6o</scene>, resolution 2.10&Aring;
|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>
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|LIGAND= <scene name='pdbligand=4SP:O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE'>4SP</scene>
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|LIGAND= <scene name='pdbligand=4SP:O6-CYCLOHEXYLMETHOXY-2-(4&#39;-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]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:11:31 2008''
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''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

Image:2c6o.gif


PDB ID 2c6o

Drag the structure with the mouse to rotate
, resolution 2.10Å
Sites:
Ligands:
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

Page seeded by OCA on Sun Mar 23 14:50:37 2008

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