2c6t

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|PDB= 2c6t |SIZE=350|CAPTION= <scene name='initialview01'>2c6t</scene>, resolution 2.61&Aring;
|PDB= 2c6t |SIZE=350|CAPTION= <scene name='initialview01'>2c6t</scene>, resolution 2.61&Aring;
|SITE= <scene name='pdbsite=AC1:Dt5+Binding+Site+For+Chain+C'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:Dt5+Binding+Site+For+Chain+C'>AC1</scene>
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|LIGAND= <scene name='pdbligand=DT5:4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE'>DT5</scene>
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|LIGAND= <scene name='pdbligand=DT5:4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE'>DT5</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene>
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|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]
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|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=
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c6t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c6t OCA], [http://www.ebi.ac.uk/pdbsum/2c6t PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c6t 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]]
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[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Protein complex]]
[[Category: Protein complex]]
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[[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.]]
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[[Category: DT5]]
 
[[Category: atp-binding]]
[[Category: atp-binding]]
[[Category: cdk2]]
[[Category: cdk2]]
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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 16:11:37 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:17:12 2008''

Revision as of 23:17, 30 March 2008

Image:2c6t.gif


PDB ID 2c6t

Drag the structure with the mouse to rotate
, resolution 2.61Å
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

2C6T is a Protein complex structure of sequences 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 02:17:12 2008

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