2np8

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[[Image:2np8.jpg|left|200px]]
[[Image:2np8.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2np8 |SIZE=350|CAPTION= <scene name='initialview01'>2np8</scene>, resolution 2.25&Aring;
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The line below this paragraph, containing "STRUCTURE_2np8", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CC3:N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE'>CC3</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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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>
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or leave the SCENE parameter empty for the default display.
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|GENE= AIK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2np8| PDB=2np8 | SCENE= }}
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|RELATEDENTRY=[[1mq4|1MQ4]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2np8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2np8 OCA], [http://www.ebi.ac.uk/pdbsum/2np8 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2np8 RCSB]</span>
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}}
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'''Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors'''
'''Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors'''
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[[Category: Swanson, R V.]]
[[Category: Swanson, R V.]]
[[Category: Tari, L W.]]
[[Category: Tari, L W.]]
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[[Category: aik]]
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[[Category: Aik]]
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[[Category: aurora 2 kinase]]
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[[Category: Aurora 2 kinase]]
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[[Category: aurora a kinase]]
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[[Category: Aurora a kinase]]
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[[Category: kinase]]
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[[Category: Kinase]]
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[[Category: kinase inhibitor]]
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[[Category: Kinase inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 09:44:02 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:06:19 2008''
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Revision as of 06:44, 4 May 2008

Image:2np8.jpg

Template:STRUCTURE 2np8

Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors


Overview

The 2.25 A crystal structure of a complex of Aurora A kinase (AIKA) with cyclopropanecarboxylic acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-am ide 1 is described here. The inhibitor binding mode is novel, with the cyclopropanecarboxylic acid moiety directed towards the solvent exposed region of the ATP-binding pocket, and several induced structural changes in the active-site compared with other published AIK structures. This structure provides context for the available SAR data on this compound class, and could be exploited for the design of analogs with increased affinity and selectivity for AIK.

About this Structure

2NP8 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors., Tari LW, Hoffman ID, Bensen DC, Hunter MJ, Nix J, Nelson KJ, McRee DE, Swanson RV, Bioorg Med Chem Lett. 2007 Feb 1;17(3):688-91. Epub 2006 Nov 2. PMID:17157005 Page seeded by OCA on Sun May 4 09:44:02 2008

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