2w1i - Revision history

OCA at 11:50, 30 March 2022

OCA — Wed, 30 Mar 2022 11:50:53 GMT

←Older revision		Revision as of 11:50, 30 March 2022
Line 3:		Line 3:
	<StructureSection load='2w1i' size='340' side='right'caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='2w1i' size='340' side='right'caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w1i]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W1I OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2W1I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w1i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W1I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W1I FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [~~http~~://pdbe.org/2w1i PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2w1i PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2w1i ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [https://pdbe.org/2w1i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [https://www.ebi.ac.uk/pdbsum/2w1i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w1i ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 08:47, 25 June 2020

OCA — Thu, 25 Jun 2020 08:47:47 GMT

←Older revision		Revision as of 08:47, 25 June 2020
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	==Structure determination of Aurora Kinase in complex with inhibitor==		==Structure determination of Aurora Kinase in complex with inhibitor==
-	<StructureSection load='2w1i' size='340' side='right' caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>	+	<StructureSection load='2w1i' size='340' side='right'caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w1i]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2W1I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w1i]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2W1I FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://pdbe.org/2w1i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w1i ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://pdbe.org/2w1i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w1i ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 31:		Line 31:

	==See Also==		==See Also==
-	*[[Janus kinase\|Janus kinase]]	+	*[[Janus kinase 3D structures\|Janus kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 37:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]
	[[Category: Berdini, V]]		[[Category: Berdini, V]]

OCA at 21:15, 19 September 2018

OCA — Wed, 19 Sep 2018 21:15:27 GMT

←Older revision		Revision as of 21:15, 19 September 2018
Line 1:		Line 1:
-	==~~STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR~~==	+
		+	==Structure determination of Aurora Kinase in complex with inhibitor==
	<StructureSection load='2w1i' size='340' side='right' caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='2w1i' size='340' side='right' caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 7:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://pdbe.org/2w1i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://pdbe.org/2w1i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w1i ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 13:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w1/2w1i_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w1/2w1i_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 51:		Line 52:
	[[Category: Maman, S]]		[[Category: Maman, S]]
	[[Category: Matthews, J E]]		[[Category: Matthews, J E]]
-	[[Category: ~~Mcmenamin~~, R L]]	+	[[Category: McMenamin, R L]]
	[[Category: Navarro, E F]]		[[Category: Navarro, E F]]
	[[Category: Rees, D C]]		[[Category: Rees, D C]]
Line 63:		Line 64:
	[[Category: Aurora]]		[[Category: Aurora]]
	[[Category: Cancer]]		[[Category: Cancer]]
		+	[[Category: Chromosomal rearrangement]]
	[[Category: Disease mutation]]		[[Category: Disease mutation]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
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	[[Category: Nucleotide-binding]]		[[Category: Nucleotide-binding]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]
		+	[[Category: Polymorphism]]
	[[Category: Proto-oncogene]]		[[Category: Proto-oncogene]]
	[[Category: Sh2 domain]]		[[Category: Sh2 domain]]
	[[Category: Transferase]]		[[Category: Transferase]]
	[[Category: Tyrosine-protein kinase]]		[[Category: Tyrosine-protein kinase]]

OCA at 11:39, 7 February 2016

OCA — Sun, 07 Feb 2016 11:39:19 GMT

←Older revision		Revision as of 11:39, 7 February 2016
Line 2:		Line 2:
	<StructureSection load='2w1i' size='340' side='right' caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='2w1i' size='340' side='right' caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w1i]] 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=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W1I FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w1i]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W1I FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://pdbe.org/2w1i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 17:		Line 17:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2w1i ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 27:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2w1i" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 35:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]
	[[Category: Berdini, V]]		[[Category: Berdini, V]]

OCA at 14:14, 19 January 2015

OCA — Mon, 19 Jan 2015 14:14:30 GMT

←Older revision		Revision as of 14:14, 19 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2w1i]] 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=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W1I FirstGlance]. <br>		<table><tr><td colspan='2'>[[2w1i]] 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=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W1I FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>	+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </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=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 36:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]
-	[[Category: Berdini, V.]]	+	[[Category: Berdini, V]]
-	[[Category: Boulstridge, J A.]]	+	[[Category: Boulstridge, J A]]
-	[[Category: Brien, M A.O.]]	+	[[Category: Brien, M A.O]]
-	[[Category: Carr, M G.]]	+	[[Category: Carr, M G]]
-	[[Category: Cross, D M.]]	+	[[Category: Cross, D M]]
-	[[Category: Curry, J.]]	+	[[Category: Curry, J]]
-	[[Category: Devine, L A.]]	+	[[Category: Devine, L A]]
-	[[Category: Early, T R.]]	+	[[Category: Early, T R]]
-	[[Category: Fazal, L.]]	+	[[Category: Fazal, L]]
-	[[Category: Gill, A L.]]	+	[[Category: Gill, A L]]
-	[[Category: Heathcote, M.]]	+	[[Category: Heathcote, M]]
-	[[Category: Howard, S.]]	+	[[Category: Howard, S]]
-	[[Category: Maman, S.]]	+	[[Category: Maman, S]]
-	[[Category: Matthews, J E.]]	+	[[Category: Matthews, J E]]
-	[[Category: Mcmenamin, R L.]]	+	[[Category: Mcmenamin, R L]]
-	[[Category: Navarro, E F.]]	+	[[Category: Navarro, E F]]
-	[[Category: Rees, D C.]]	+	[[Category: Rees, D C]]
-	[[Category: Reilly, M O.]]	+	[[Category: Reilly, M O]]
-	[[Category: Reule, M.]]	+	[[Category: Reule, M]]
-	[[Category: Tisi, D.]]	+	[[Category: Tisi, D]]
-	[[Category: Vinkovic, M.]]	+	[[Category: Vinkovic, M]]
-	[[Category: Williams, G.]]	+	[[Category: Williams, G]]
-	[[Category: Wyatt, P G.]]	+	[[Category: Wyatt, P G]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Aurora]]		[[Category: Aurora]]

OCA at 01:39, 1 October 2014

OCA — Wed, 01 Oct 2014 01:39:05 GMT

←Older revision		Revision as of 01:39, 1 October 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_2w1i\| PDB=2w1i \| SCENE= }}~~	+	==STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR==
-	===STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR===	+	<StructureSection load='2w1i' size='340' side='right' caption='[[2w1i]], [[Resolution\|resolution]] 2.60Å' scene=''>
-	{~~{ABSTRACT_PUBMED_19143567}~~}	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2w1i]] 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=2W1I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W1I FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=L0I:4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM'>L0I</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2b7a\|2b7a]], [[2w1g\|2w1g]], [[2w1f\|2w1f]], [[2w1d\|2w1d]], [[2w1h\|2w1h]], [[2w1e\|2w1e]], [[2w1c\|2w1c]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] </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=2w1i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w1i OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w1i RCSB], [http://www.ebi.ac.uk/pdbsum/2w1i PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w1/2w1i_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Here, we describe the identification of a clinical candidate via structure-based optimization of a ligand efficient pyrazole-benzimidazole fragment. Aurora kinases play a key role in the regulation of mitosis and in recent years have become attractive targets for the treatment of cancer. X-ray crystallographic structures were generated using a novel soakable form of Aurora A and were used to drive the optimization toward potent (IC(50) approximately 3 nM) dual Aurora A/Aurora B inhibitors. These compounds inhibited growth and survival of HCT116 cells and produced the polyploid cellular phenotype typically associated with Aurora B kinase inhibition. Optimization of cellular activity and physicochemical properties ultimately led to the identification of compound 16 (AT9283). In addition to Aurora A and Aurora B, compound 16 was also found to inhibit a number of other kinases including JAK2 and Abl (T315I). This compound demonstrated in vivo efficacy in mouse xenograft models and is currently under evaluation in phase I clinical trials.

-	~~==About this Structure==~~	+	Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity.,Howard S, Berdini V, Boulstridge JA, Carr MG, Cross DM, Curry J, Devine LA, Early TR, Fazal L, Gill AL, Heathcote M, Maman S, Matthews JE, McMenamin RL, Navarro EF, O'Brien MA, O'Reilly M, Rees DC, Reule M, Tisi D, Williams G, Vinkovic M, Wyatt PG J Med Chem. 2009 Jan 22;52(2):379-88. PMID:19143567<ref>PMID:19143567</ref>
-	~~[[2w1i]] 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=2W1I OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:019143567</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Janus kinase\|Janus kinase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]

OCA at 19:00, 24 March 2013

OCA — Sun, 24 Mar 2013 19:00:42 GMT

←Older revision		Revision as of 19:00, 24 March 2013
Line 1:		Line 1:
-	[[Image:2w1i.png\|left\|200px]]
-
	{{STRUCTURE_2w1i\| PDB=2w1i \| SCENE= }}		{{STRUCTURE_2w1i\| PDB=2w1i \| SCENE= }}
-
	===STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR===		===STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR===
-
	{{ABSTRACT_PUBMED_19143567}}		{{ABSTRACT_PUBMED_19143567}}

Line 11:		Line 7:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:019143567</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019143567</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]

OCA: Protected "2w1i" [edit=sysop:move=sysop]

OCA — Mon, 07 Jan 2013 21:02:54 GMT

Protected "2w1i" [edit=sysop:move=sysop]

←Older revision

Revision as of 21:02, 7 January 2013

OCA at 21:02, 7 January 2013

OCA — Mon, 07 Jan 2013 21:02:49 GMT

←Older revision		Revision as of 21:02, 7 January 2013
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:2w1i.png\|left\|200px]]
-	[[Image:2w1i.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2w1i", 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_2w1i\| PDB=2w1i \| SCENE= }}		{{STRUCTURE_2w1i\| PDB=2w1i \| SCENE= }}

	===STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR===		===STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19143567}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19143567 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19143567}}		{{ABSTRACT_PUBMED_19143567}}

	==About this Structure==		==About this Structure==
-	~~2W1I~~ is a 2 ~~chains~~ structure ~~of sequences~~ 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=2W1I OCA].	+	[[2w1i]] 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=2W1I OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19143567~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019143567</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Non-specific protein-tyrosine kinase]]		[[Category: Non-specific protein-tyrosine kinase]]
Line 52:		Line 40:
	[[Category: Aurora]]		[[Category: Aurora]]
	[[Category: Cancer]]		[[Category: Cancer]]
-	[[Category: Chromosomal rearrangement]]
	[[Category: Disease mutation]]		[[Category: Disease mutation]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
Line 59:		Line 46:
	[[Category: Nucleotide-binding]]		[[Category: Nucleotide-binding]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]
-	[[Category: Polymorphism]]
	[[Category: Proto-oncogene]]		[[Category: Proto-oncogene]]
	[[Category: Sh2 domain]]		[[Category: Sh2 domain]]
	[[Category: Transferase]]		[[Category: Transferase]]
	[[Category: Tyrosine-protein kinase]]		[[Category: Tyrosine-protein kinase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 28 09:39:15 2009''

OCA at 07:39, 28 January 2009

OCA — Wed, 28 Jan 2009 07:39:19 GMT

←Older revision		Revision as of 07:39, 28 January 2009
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:2w1i.jpg\|left\|200px]]

-	The ~~entry 2w1i~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_2w1i", 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_2w1i\| PDB=2w1i \| SCENE= }}

-	Authors: Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.	+	===STRUCTURE DETERMINATION OF AURORA KINASE IN COMPLEX WITH INHIBITOR===

-	Description: Structure determination of Aurora Kinase in complex with inhibitor

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Oct 29 10:19~~:39 ~~2008~~''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19143567}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19143567 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19143567}}
		+
		+	==About this Structure==
		+	2W1I is a 2 chains structure of sequences 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=2W1I OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19143567</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Non-specific protein-tyrosine kinase]]
		+	[[Category: Berdini, V.]]
		+	[[Category: Boulstridge, J A.]]
		+	[[Category: Brien, M A.O.]]
		+	[[Category: Carr, M G.]]
		+	[[Category: Cross, D M.]]
		+	[[Category: Curry, J.]]
		+	[[Category: Devine, L A.]]
		+	[[Category: Early, T R.]]
		+	[[Category: Fazal, L.]]
		+	[[Category: Gill, A L.]]
		+	[[Category: Heathcote, M.]]
		+	[[Category: Howard, S.]]
		+	[[Category: Maman, S.]]
		+	[[Category: Matthews, J E.]]
		+	[[Category: Mcmenamin, R L.]]
		+	[[Category: Navarro, E F.]]
		+	[[Category: Rees, D C.]]
		+	[[Category: Reilly, M O.]]
		+	[[Category: Reule, M.]]
		+	[[Category: Tisi, D.]]
		+	[[Category: Vinkovic, M.]]
		+	[[Category: Williams, G.]]
		+	[[Category: Wyatt, P G.]]
		+	[[Category: Atp-binding]]
		+	[[Category: Aurora]]
		+	[[Category: Cancer]]
		+	[[Category: Chromosomal rearrangement]]
		+	[[Category: Disease mutation]]
		+	[[Category: Inhibitor]]
		+	[[Category: Kinase]]
		+	[[Category: Membrane]]
		+	[[Category: Nucleotide-binding]]
		+	[[Category: Phosphoprotein]]
		+	[[Category: Polymorphism]]
		+	[[Category: Proto-oncogene]]
		+	[[Category: Sh2 domain]]
		+	[[Category: Transferase]]
		+	[[Category: Tyrosine-protein kinase]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 28 09:39:15 2009''