2c6e: Difference between revisions

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[[Image:2c6e.gif|left|200px]]<br /><applet load="2c6e" size="350" color="white" frame="true" align="right" spinBox="true"
[[Image:2c6e.gif|left|200px]]
caption="2c6e, resolution 2.1&Aring;" />
 
'''AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5-AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR'''<br />
{{Structure
|PDB= 2c6e |SIZE=350|CAPTION= <scene name='initialview01'>2c6e</scene>, resolution 2.1&Aring;
|SITE= <scene name='pdbsite=AC1:Hpm+Binding+Site+For+Chain+A'>AC1</scene>
|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>
|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=
}}
 
'''AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5-AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR'''
 


==Overview==
==Overview==
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==About this Structure==
==About this Structure==
2C6E 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=HPM:'>HPM</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:Hpm+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C6E OCA].  
2C6E is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C6E OCA].  


==Reference==
==Reference==
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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16337122 16337122]
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:[http://www.ncbi.nlm.nih.gov/pubmed/16337122 16337122]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: transferase/inhibitor complex]]
[[Category: transferase/inhibitor complex]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:45:28 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:11:26 2008''

Revision as of 17:11, 20 March 2008

File:2c6e.gif


PDB ID 2c6e

Drag the structure with the mouse to rotate
, resolution 2.1Å
Sites:
Ligands:
Activity: Transferred entry: 2.7.11.1, with EC number 2.7.1.37
Coordinates: save as pdb, mmCIF, xml



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.

DiseaseDisease

Known diseases associated with this structure: Colon cancer, susceptibility to OMIM:[603072]

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

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