2c6o
From Proteopedia
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| - | [[Image:2c6o.gif|left|200px]]<br /><applet load="2c6o" size=" | + | [[Image:2c6o.gif|left|200px]]<br /><applet load="2c6o" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="2c6o, resolution 2.10Å" /> | caption="2c6o, resolution 2.10Å" /> | ||
'''CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR'''<br /> | '''CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2C6O is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with 4SP as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Known structural/functional Site: <scene name='pdbsite=AC1:4sp Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http:// | + | 2C6O is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=4SP:'>4SP</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Known structural/functional Site: <scene name='pdbsite=AC1:4sp+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C6O OCA]. |
==Reference== | ==Reference== | ||
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[[Category: triazolopyrimidine inhibitor]] | [[Category: triazolopyrimidine inhibitor]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:32:09 2008'' |
Revision as of 08:32, 3 February 2008
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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 with as ligand. Active as Transferred entry: 2.7.11.1, with EC number 2.7.1.37 Known structural/functional Site: . 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 Feb 3 10:32:09 2008
Categories: Homo sapiens | Single protein | Transferred entry: 2.7.11.1 | Dokurno, P. | Murray, J.B. | Richardson, C.M. | Surgenor, A.E. | 4SP | Atp-binding | Cdk2 | Cell cycle | Cell division | Kinase | Mitosis | Nucleotide-binding | Phosphorylation | Serine/threonine protein kinase | Transferase | Triazolopyrimidine inhibitor
