3uo6: Difference between revisions

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-[[Image:3uo6.png|left|200px]]
+==Aurora A in complex with YL5-083==
+<StructureSection load='3uo6' size='340' side='right' caption='[[3uo6]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3uo6]] is a 2 chain structure with 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=3UO6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3UO6 FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0BY:4-({4-[(2-CHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC+ACID'>0BY</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3unj|3unj]], [[3unk|3unk]], [[3unz|3unz]], [[3uo4|3uo4]], [[3uo5|3uo5]], [[3uod|3uod]], [[3uoh|3uoh]], [[3uoj|3uoj]], [[3uok|3uok]], [[3uol|3uol]], [[3up2|3up2]], [[3up7|3up7]]</td></tr>
+<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">AURKA, AIK, AIRK1, ARK1, AURA, AYK1, BTAK, IAK1, STK15, STK6 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
+<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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></td></tr>
+<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3uo6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3uo6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3uo6 RCSB], [http://www.ebi.ac.uk/pdbsum/3uo6 PDBsum]</span></td></tr>
+<table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Most protein kinases share a DFG (Asp-Phe-Gly) motif in the ATP site which can assume two distinct conformations, the active DFG-in and the inactive DFG-out states. Small molecule inhibitors able to induce the DFG-out state have received considerable attention in kinase drug discovery. Using a typical DFG-in inhibitor scaffold of Aurora A, a kinase involved in the regulation of cell division, we found that halogen and nitrile substituents directed at the N-terminally flanking residue Ala273 induced global conformational changes in the enzyme, leading to DFG-out inhibitors that are among the most potent Aurora A inhibitors reported to date. The data suggest an unprecedented mechanism of action, in which induced-dipole forces along the Ala273 side chain alter the charge distribution of the DFG backbone, allowing the DFG to unwind. As the ADFG sequence and three-dimensional structure is highly conserved, DFG-out inhibitors of other kinases may be designed by specifically targeting the flanking alanine residue with electric dipoles.
-<!--
+A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A.,Martin MP, Zhu JY, Lawrence H, Pireddu R, Luo Y, Alam R, Ozcan S, Sebti SM, Lawrence NJ, Schonbrunn E ACS Chem Biol. 2012 Jan 16. PMID:22248356<ref>PMID:22248356</ref>
-The line below this paragraph, containing "STRUCTURE_3uo6", creates the "Structure Box" on the page.
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-or leave the SCENE parameter empty for the default display.
--->
-{{STRUCTURE_3uo6|  PDB=3uo6  |  SCENE=  }}
-===Aurora A in complex with YL5-083===
+From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
+</div>
+==See Also==
-<!--
+*[[Serine/threonine protein kinase|Serine/threonine protein kinase]]
-The line below this paragraph, {{ABSTRACT_PUBMED_22248356}}, adds the Publication Abstract to the page
+== References ==
-(as it appears on PubMed at http://www.pubmed.gov), where 22248356 is the PubMed ID number.
+<references/>
--->
+__TOC__
-{{ABSTRACT_PUBMED_22248356}}
+</StructureSection>
-==About this Structure==
-[[3uo6]] is a 2 chain structure with 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=3UO6 OCA].
-==Reference==
-<ref group="xtra">PMID:022248356</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
 [[Category: Non-specific serine/threonine protein kinase]]