2c6e: Difference between revisions

Revision as of 21:19, 3 May 2008

AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5-AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR

OverviewOverview

A novel series of 5-aminopyrimidinyl quinazolines has been developed from anilino-quinazoline 1, which was identified in a high throughput screen for Aurora A. Introduction of the pyrimidine ring and optimisation of the substituents both on this ring and at the C7 position of the quinazoline led to the discovery of compounds that are highly specific Aurora kinase inhibitors. Co-crystallisation of one of these inhibitors with a fragment of Aurora A shows the importance of the benzamido group in achieving selectivity.

About this StructureAbout this Structure

2C6E is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors., Heron NM, Anderson M, Blowers DP, Breed J, Eden JM, Green S, Hill GB, Johnson T, Jung FH, McMiken HH, Mortlock AA, Pannifer AD, Pauptit RA, Pink J, Roberts NJ, Rowsell S, Bioorg Med Chem Lett. 2006 Mar 1;16(5):1320-3. Epub 2005 Dec 5. PMID:16337122 Page seeded by OCA on Sat May 3 21:19:41 2008

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

OCA

@@ Line 1: / Line 1: @@
 [[Image:2c6e.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2c6e |SIZE=350|CAPTION= <scene name='initialview01'>2c6e</scene>, resolution 2.1&Aring;
+The line below this paragraph, containing "STRUCTURE_2c6e", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Hpm+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=HPM:N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE'>HPM</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_2c6e|  PDB=2c6e  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c6e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c6e OCA], [http://www.ebi.ac.uk/pdbsum/2c6e PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c6e RCSB]</span>
-}}
 '''AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5-AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR'''
@@ Line 32: / Line 29: @@
 [[Category: Pauptit, R A.]]
 [[Category: Rowsell, S.]]
-[[Category: atp-binding]]
+[[Category: Atp-binding]]
-[[Category: aurora]]
+[[Category: Aurora]]
-[[Category: cancer]]
+[[Category: Cancer]]
-[[Category: cell cycle]]
+[[Category: Cell cycle]]
-[[Category: kinase]]
+[[Category: Kinase]]
-[[Category: nucleotide-binding]]
+[[Category: Nucleotide-binding]]
-[[Category: phosphorylation]]
+[[Category: Phosphorylation]]
-[[Category: serine/threonine-protein kinase]]
+[[Category: Serine/threonine-protein kinase]]
-[[Category: transferase]]
+[[Category: Transferase]]
-[[Category: transferase/inhibitor complex]]
+[[Category: Transferase/inhibitor complex]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 21:19:41 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:16:59 2008''