2c68: Difference between revisions

Revision as of 21:19, 3 May 2008

CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR

OverviewOverview

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 StructureAbout this Structure

2C68 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

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 Sat May 3 21:19:13 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:2c68.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2c68 |SIZE=350|CAPTION= <scene name='initialview01'>2c68</scene>, resolution 1.95&Aring;
+The line below this paragraph, containing "STRUCTURE_2c68", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Ct6+Binding+Site+For+Chain+A'>AC1</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=CT6:(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>CT6</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|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>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_2c68|  PDB=2c68  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c68 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c68 OCA], [http://www.ebi.ac.uk/pdbsum/2c68 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c68 RCSB]</span>
-}}
 '''CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR'''
@@ Line 30: / Line 27: @@
 [[Category: Richardson, C M.]]
 [[Category: Surgenor, A E.]]
-[[Category: atp-binding]]
+[[Category: Atp-binding]]
-[[Category: cdk2]]
+[[Category: Cdk2]]
-[[Category: cell cycle]]
+[[Category: Cell cycle]]
-[[Category: cell division]]
+[[Category: Cell division]]
-[[Category: kinase]]
+[[Category: Kinase]]
-[[Category: mitosis]]
+[[Category: Mitosis]]
-[[Category: nucleotide-binding]]
+[[Category: Nucleotide-binding]]
-[[Category: phosphorylation]]
+[[Category: Phosphorylation]]
-[[Category: polymorphism]]
+[[Category: Polymorphism]]
-[[Category: serine/threonine protein kinase]]
+[[Category: Serine/threonine protein kinase]]
-[[Category: transferase]]
+[[Category: Transferase]]
-[[Category: triazolopyrimidine inhibitor]]
+[[Category: Triazolopyrimidine inhibitor]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 21:19:13 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:16:55 2008''