4p5q - Revision history

OCA at 12:22, 20 December 2023

OCA — Wed, 20 Dec 2023 12:22:40 GMT

←Older revision		Revision as of 12:22, 20 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4p5q]] 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=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>		<table><tr><td colspan='2'>[[4p5q]] 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=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</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]] 1.35Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [https://pdbe.org/4p5q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [https://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q 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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [https://pdbe.org/4p5q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [https://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:43, 1 February 2023

OCA — Wed, 01 Feb 2023 12:43:20 GMT

←Older revision		Revision as of 12:43, 1 February 2023
Line 3:		Line 3:
	<StructureSection load='4p5q' size='340' side='right'caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>		<StructureSection load='4p5q' size='340' side='right'caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4p5q]] 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=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4p5q]] 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=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">EPHA3, ETK, ETK1, HEK, TYRO4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [https://pdbe.org/4p5q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [https://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [~~http~~://pdbe.org/4p5q PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN]] Defects in EPHA3 may be a cause of colorectal cancer (CRC) [MIM:[~~http~~://omim.org/entry/114500 114500]].	+	[https://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN] Defects in EPHA3 may be a cause of colorectal cancer (CRC) [MIM:[https://omim.org/entry/114500 114500].
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN]] Receptor tyrosine kinase which binds promiscuously membrane-bound ephrin family ligands residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. The signaling pathway downstream of the receptor is referred to as forward signaling while the signaling pathway downstream of the ephrin ligand is referred to as reverse signaling. Highly promiscuous for ephrin-A ligands it binds preferentially EFNA5. Upon activation by EFNA5 regulates cell-cell adhesion, cytoskeletal organization and cell migration. Plays a role in cardiac cells migration and differentiation and regulates the formation of the atrioventricular canal and septum during development probably through activation by EFNA1. Involved in the retinotectal mapping of neurons. May also control the segregation but not the guidance of motor and sensory axons during neuromuscular circuit development.<ref>PMID:11870224</ref>	+	[https://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN] Receptor tyrosine kinase which binds promiscuously membrane-bound ephrin family ligands residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. The signaling pathway downstream of the receptor is referred to as forward signaling while the signaling pathway downstream of the ephrin ligand is referred to as reverse signaling. Highly promiscuous for ephrin-A ligands it binds preferentially EFNA5. Upon activation by EFNA5 regulates cell-cell adhesion, cytoskeletal organization and cell migration. Plays a role in cardiac cells migration and differentiation and regulates the formation of the atrioventricular canal and septum during development probably through activation by EFNA1. Involved in the retinotectal mapping of neurons. May also control the segregation but not the guidance of motor and sensory axons during neuromuscular circuit development.<ref>PMID:11870224</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 22:

	==See Also==		==See Also==
-	*[[Ephrin receptor\|Ephrin receptor]]	+	*[[Ephrin receptor 3D structures\|Ephrin receptor 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Receptor protein-tyrosine kinase]]~~	+	[[Category: Caflisch A]]
-	[[Category: Caflisch, A]]	+	[[Category: Dong J]]
-	[[Category: Dong, J]]	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Transferase inhibitor~~]]	+

OCA at 07:28, 17 April 2019

OCA — Wed, 17 Apr 2019 07:28:10 GMT

←Older revision		Revision as of 07:28, 17 April 2019
Line 1:		Line 1:

	==Human EphA3 Kinase domain in complex with quinoxaline derivatives==		==Human EphA3 Kinase domain in complex with quinoxaline derivatives==
-	<StructureSection load='4p5q' size='340' side='right' caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>	+	<StructureSection load='4p5q' size='340' side='right'caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4p5q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4p5q]] 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=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">EPHA3, ETK, ETK1, HEK, TYRO4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://pdbe.org/4p5q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q ProSAT]</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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://pdbe.org/4p5q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q ProSAT]</span></td></tr>
Line 28:		Line 29:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Receptor protein-tyrosine kinase]]		[[Category: Receptor protein-tyrosine kinase]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]

OCA at 10:50, 11 August 2016

OCA — Thu, 11 Aug 2016 10:50:32 GMT

←Older revision		Revision as of 10:50, 11 August 2016
Line 1:		Line 1:
		+
	==Human EphA3 Kinase domain in complex with quinoxaline derivatives==		==Human EphA3 Kinase domain in complex with quinoxaline derivatives==
	<StructureSection load='4p5q' size='340' side='right' caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>		<StructureSection load='4p5q' size='340' side='right' caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q 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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://pdbe.org/4p5q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4p5q ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 19:		Line 20:
	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 4p5q" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Ephrin receptor\|Ephrin receptor]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 14:20, 5 January 2015

OCA — Mon, 05 Jan 2015 14:20:03 GMT

←Older revision		Revision as of 14:20, 5 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4p5q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>		<table><tr><td colspan='2'>[[4p5q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q 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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Disease ==		== Disease ==
	[[http://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN]] Defects in EPHA3 may be a cause of colorectal cancer (CRC) [MIM:[http://omim.org/entry/114500 114500]].		[[http://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN]] Defects in EPHA3 may be a cause of colorectal cancer (CRC) [MIM:[http://omim.org/entry/114500 114500]].
Line 24:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Receptor protein-tyrosine kinase]]		[[Category: Receptor protein-tyrosine kinase]]
-	[[Category: Caflisch, A.]]	+	[[Category: Caflisch, A]]
-	[[Category: Dong, J.]]	+	[[Category: Dong, J]]
	[[Category: Transferase]]		[[Category: Transferase]]
	[[Category: Transferase inhibitor]]		[[Category: Transferase inhibitor]]

OCA at 09:07, 13 August 2014

OCA — Wed, 13 Aug 2014 09:07:03 GMT

←Older revision		Revision as of 09:07, 13 August 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Human EphA3 Kinase domain in complex with quinoxaline derivatives==
		+	<StructureSection load='4p5q' size='340' side='right' caption='[[4p5q]], [[Resolution\|resolution]] 1.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4p5q]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4P5Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4P5Q FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=Q0B:2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE'>Q0B</scene><br>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Receptor_protein-tyrosine_kinase Receptor protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 2.7.10.1] </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=4p5q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4p5q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4p5q RCSB], [http://www.ebi.ac.uk/pdbsum/4p5q PDBsum]</span></td></tr>
		+	<table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN]] Defects in EPHA3 may be a cause of colorectal cancer (CRC) [MIM:[http://omim.org/entry/114500 114500]].
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/EPHA3_HUMAN EPHA3_HUMAN]] Receptor tyrosine kinase which binds promiscuously membrane-bound ephrin family ligands residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. The signaling pathway downstream of the receptor is referred to as forward signaling while the signaling pathway downstream of the ephrin ligand is referred to as reverse signaling. Highly promiscuous for ephrin-A ligands it binds preferentially EFNA5. Upon activation by EFNA5 regulates cell-cell adhesion, cytoskeletal organization and cell migration. Plays a role in cardiac cells migration and differentiation and regulates the formation of the atrioventricular canal and septum during development probably through activation by EFNA1. Involved in the retinotectal mapping of neurons. May also control the segregation but not the guidance of motor and sensory axons during neuromuscular circuit development.<ref>PMID:11870224</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The X-ray crystal structures of the catalytic domain of the EphA3 tyrosine kinase in complex with two type I inhibitors previously discovered in silico (compounds A and B) were used to design type I1/2 and II inhibitors. Chemical synthesis of about 25 derivatives culminated in the discovery of compounds 11d (type I1/2), 7b, and 7g (both of type II), which have low-nanomolar affinity for Eph kinases in vitro and a good selectivity profile on a panel of 453 human kinases (395 nonmutant). Surface plasmon resonance measurements show a very slow unbinding rate (1/115 min) for inhibitor 7m. Slow dissociation is consistent with a type II binding mode in which the hydrophobic moiety (trifluoromethyl-benzene) of the inhibitor is deeply buried in a cavity originating from the displacement of the Phe side chain of the so-called DFG motif as observed in the crystal structure of compound 7m. The inhibitor 11d displayed good in vivo efficacy in a human breast cancer xenograft.

-	~~The entry 4p5q is ON HOLD until Paper Publication~~	+	Pyrrolo[3,2-b]quinoxaline Derivatives as Types I and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.,Unzue A, Dong J, Lafleur K, Zhao H, Frugier E, Caflisch A, Nevado C J Med Chem. 2014 Jul 30. PMID:25076195<ref>PMID:25076195</ref>

-	~~Authors: Dong~~, J., Caflisch, A.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Human EphA3 Kinase domain in complex with quinoxaline derivatives~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Receptor protein-tyrosine kinase]]
		+	[[Category: Caflisch, A.]]
		+	[[Category: Dong, J.]]
		+	[[Category: Transferase]]
		+	[[Category: Transferase inhibitor]]

OCA at 07:59, 21 May 2014

OCA — Wed, 21 May 2014 07:59:07 GMT

←Older revision		Revision as of 07:59, 21 May 2014
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	The entry 4p5q is ON HOLD until Paper Publication		The entry 4p5q is ON HOLD until Paper Publication

-	Authors: ~~Jing~~ Dong, ~~Amedeo~~ Caflisch	+	Authors: Dong, J., Caflisch, A.

	Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives		Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives

OCA at 08:29, 2 April 2014

OCA — Wed, 02 Apr 2014 08:29:36 GMT

←Older revision		Revision as of 08:29, 2 April 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4p5q is ON HOLD	+	The entry 4p5q is ON HOLD until Paper Publication

	Authors: Jing Dong, Amedeo Caflisch		Authors: Jing Dong, Amedeo Caflisch

	Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives		Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives

OCA: Protected "4p5q" [edit=sysop:move=sysop]

OCA — Wed, 26 Mar 2014 08:49:18 GMT

Protected "4p5q" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:49, 26 March 2014

OCA: New page: '''Unreleased structure''' The entry 4p5q is ON HOLD Authors: Jing Dong, Amedeo Caflisch Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives

OCA — Wed, 26 Mar 2014 08:49:17 GMT

New page: '''Unreleased structure''' The entry 4p5q is ON HOLD Authors: Jing Dong, Amedeo Caflisch Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives

New page

'''Unreleased structure'''

The entry 4p5q is ON HOLD

Authors: Jing Dong, Amedeo Caflisch

Description: Human EphA3 Kinase domain in complex with quinoxaline derivatives