4bi0 - Revision history

OCA at 11:51, 20 December 2023

OCA — Wed, 20 Dec 2023 11:51:46 GMT

←Older revision		Revision as of 11:51, 20 December 2023
Line 3:		Line 3:
	<StructureSection load='4bi0' size='340' side='right'caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4bi0' size='340' side='right'caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bi0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene~~></td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.84Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [https://pdbe.org/4bi0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [https://www.ebi.ac.uk/pdbsum/4bi0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi0 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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [https://pdbe.org/4bi0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [https://www.ebi.ac.uk/pdbsum/4bi0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi0 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>	+	[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Dual-specificity kinase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Blagg, J]]	+	[[Category: Blagg J]]
-	[[Category: Brown, N]]	+	[[Category: Brown N]]
-	[[Category: Langdon~~, S R]]~~	+	[[Category: Langdon SR]]
-	~~[[Category: Montfort, R L.M van~~]]	+	[[Category: Westwood IM]]
-	[[Category: Westwood~~, I M~~]]	+	[[Category: Van Montfort RLM]]
-	[[Category: ~~Mitosis]]~~	+
-	~~[[Category: Protein kinase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 07:14, 31 August 2022

OCA — Wed, 31 Aug 2022 07:14:28 GMT

←Older revision		Revision as of 07:14, 31 August 2022
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	<StructureSection load='4bi0' size='340' side='right'caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4bi0' size='340' side='right'caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [~~http~~://pdbe.org/4bi0 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4bi0 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi0 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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [https://pdbe.org/4bi0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [https://www.ebi.ac.uk/pdbsum/4bi0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi0 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>	+	[[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Dual specificity protein kinase\|Dual specificity protein kinase]]	+	*[[Dual specificity protein kinase 3D structures\|Dual specificity protein kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:39, 13 March 2019

OCA — Wed, 13 Mar 2019 13:39:53 GMT

←Older revision		Revision as of 13:39, 13 March 2019
Line 1:		Line 1:

	==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==		==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==
-	<StructureSection load='4bi0' size='340' side='right' caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>	+	<StructureSection load='4bi0' size='340' side='right'caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>
Line 29:		Line 29:
	[[Category: Dual-specificity kinase]]		[[Category: Dual-specificity kinase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Blagg, J]]		[[Category: Blagg, J]]
	[[Category: Brown, N]]		[[Category: Brown, N]]

OCA at 19:15, 11 August 2016

OCA — Thu, 11 Aug 2016 19:15:25 GMT

←Older revision		Revision as of 19:15, 11 August 2016
Line 1:		Line 1:
		+
	==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==		==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==
	<StructureSection load='4bi0' size='340' side='right' caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4bi0' size='340' side='right' caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [http://www.ebi.ac.uk/pdbsum/4bi0 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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [http://pdbe.org/4bi0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [http://www.ebi.ac.uk/pdbsum/4bi0 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi0 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4bi0" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 07:40, 14 January 2015

OCA — Wed, 14 Jan 2015 07:40:23 GMT

←Older revision		Revision as of 07:40, 14 January 2015
Line 2:		Line 2:
	<StructureSection load='4bi0' size='340' side='right' caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4bi0' size='340' side='right' caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</td></tr>
Line 26:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Dual-specificity kinase]]		[[Category: Dual-specificity kinase]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Blagg, J]]		[[Category: Blagg, J]]
	[[Category: Brown, N]]		[[Category: Brown, N]]

OCA at 05:38, 25 December 2014

OCA — Thu, 25 Dec 2014 05:38:47 GMT

←Older revision		Revision as of 05:38, 25 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4bi0\| PDB=4bi0 \| SCENE= }}~~	+	==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==
-	===Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor===	+	<StructureSection load='4bi0' size='340' side='right' caption='[[4bi0]], [[Resolution\|resolution]] 2.84Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23672464}}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4bi0]] is a 1 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=4BI0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI0 FirstGlance]. <br>
-	==Function==	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=Z0W:5H-PYRIMIDO[5,4-B]INDOLE'>Z0W</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bhz\|4bhz]], [[4bi1\|4bi1]], [[4bi2\|4bi2]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </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=4bi0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bi0 RCSB], [http://www.ebi.ac.uk/pdbsum/4bi0 PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
	[[http://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>		[[http://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We describe and apply a scaffold-focused virtual screen based upon scaffold trees to the mitotic kinase TTK (MPS1). Using level 1 of the scaffold tree, we perform both 2D and 3D similarity searches between a query scaffold and a level 1 scaffold library derived from a 2 million compound library; 98 compounds from 27 unique top-ranked level 1 scaffolds are selected for biochemical screening. We show that this scaffold-focused virtual screen prospectively identifies eight confirmed active compounds that are structurally differentiated from the query compound. In comparison, 100 compounds were selected for biochemical screening using a virtual screen based upon whole molecule similarity resulting in 12 confirmed active compounds that are structurally similar to the query compound. We elucidated the binding mode for four of the eight confirmed scaffold hops to TTK by determining their protein-ligand crystal structures; each represents a ligand-efficient scaffold for inhibitor design.
		+
		+	Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors.,Langdon SR, Westwood IM, van Montfort RL, Brown N, Blagg J J Chem Inf Model. 2013 May 24;53(5):1100-12. doi: 10.1021/ci400100c. Epub 2013, May 14. PMID:23672464<ref>PMID:23672464</ref>

-	~~==About this Structure==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[4bi0]] is~~ a ~~1 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=4BI0 OCA].~~	+	</div>

-	==~~Reference~~==	+	==See Also==
-	~~<ref group~~=~~"xtra">PMID:023672464</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	*[[Dual specificity protein kinase\|Dual specificity protein kinase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Dual-specificity kinase]]		[[Category: Dual-specificity kinase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Blagg, J.]]	+	[[Category: Blagg, J]]
-	[[Category: Brown, N.]]	+	[[Category: Brown, N]]
-	[[Category: Langdon, S R.]]	+	[[Category: Langdon, S R]]
-	[[Category: Montfort, R L.M van.]]	+	[[Category: Montfort, R L.M van]]
-	[[Category: Westwood, I M.]]	+	[[Category: Westwood, I M]]
	[[Category: Mitosis]]		[[Category: Mitosis]]
	[[Category: Protein kinase]]		[[Category: Protein kinase]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 15:56, 19 June 2013

OCA — Wed, 19 Jun 2013 15:56:52 GMT

←Older revision		Revision as of 15:56, 19 June 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4bi0\| PDB=4bi0 \| SCENE= }}
		+	===Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor===
		+	{{ABSTRACT_PUBMED_23672464}}

-	~~The entry 4bi0 is ON HOLD~~ ~~until Paper Publication~~	+	==Function==
		+	[[http://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>

-	~~Authors~~: ~~Langdon, S~~.R.~~, Westwood, I~~.~~M., van Montfort, R.L~~.M.~~, Brown, N~~.~~, Blagg, J~~.	+	==About this Structure==
		+	[[4bi0]] is a 1 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=4BI0 OCA].

-	~~Description~~: ~~Scaffold Focused Virtual Screening~~: ~~Prospective Application to the Discovery of TTK Inhibitor~~	+	==Reference==
		+	<ref group="xtra">PMID:023672464</ref><references group="xtra"/><references/>
		+	[[Category: Dual-specificity kinase]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Blagg, J.]]
		+	[[Category: Brown, N.]]
		+	[[Category: Langdon, S R.]]
		+	[[Category: Montfort, R L.M van.]]
		+	[[Category: Westwood, I M.]]
		+	[[Category: Mitosis]]
		+	[[Category: Protein kinase]]
		+	[[Category: Transferase]]

OCA: Protected "4bi0" [edit=sysop:move=sysop]

OCA — Wed, 17 Apr 2013 19:42:58 GMT

Protected "4bi0" [edit=sysop:move=sysop]

←Older revision

Revision as of 19:42, 17 April 2013

OCA: New page: '''Unreleased structure''' The entry 4bi0 is ON HOLD until Paper Publication Authors: Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J. Description: Scaffold Fo...

OCA — Wed, 17 Apr 2013 19:42:57 GMT

New page: '''Unreleased structure''' The entry 4bi0 is ON HOLD until Paper Publication Authors: Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J. Description: Scaffold Fo...

New page

'''Unreleased structure'''

The entry 4bi0 is ON HOLD until Paper Publication

Authors: Langdon, S.R., Westwood, I.M., van Montfort, R.L.M., Brown, N., Blagg, J.

Description: Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor