3eb1 - Revision history

OCA at 09:46, 21 February 2024

OCA — Wed, 21 Feb 2024 09:46:27 GMT

←Older revision		Revision as of 09:46, 21 February 2024
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	<StructureSection load='3eb1' size='340' side='right'caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='3eb1' size='340' side='right'caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=LZQ:4~~-~~[3-(DIBENZYLAMINO)PHENYL]-2~~,~~4-DIOXOBUTANOIC+ACID'>LZQ</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]] 2.4Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3eax\|3eax]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>PTPN1, PTP1B ([https://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'>[https~~:~~//en.wikipedia.org/wiki/Protein~~-~~tyrosine~~-~~phosphatase Protein~~-~~tyrosine-phosphatase]~~, ~~with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48]~~ </~~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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [https://pdbe.org/3eb1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [https://www.ebi.ac.uk/pdbsum/3eb1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3eb1 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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [https://pdbe.org/3eb1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [https://www.ebi.ac.uk/pdbsum/3eb1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3eb1 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN]] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>	+	[https://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</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=3eb1 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=3eb1 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	There has been considerable interest in protein tyrosine phosphatase 1B (PTP1B) as a therapeutic target for diabetes, obesity, as well as cancer. Identifying inhibitory compounds with good bioavailability is a major challenge of drug discovery programs targeted toward PTPs. Most current PTP active site-directed pharmacophores are negatively charged pTyr mimetics which cannot readily enter the cell. This lack of cell permeability limits the utility of such compounds in signaling studies and further therapeutic development. We identify aryl diketoacids as novel pTyr surrogates and show that neutral amide-linked aryl diketoacid dimers also exhibit excellent PTP inhibitory activity. Kinetic studies establish that these aryl diketoacid derivatives act as noncompetitive inhibitors of PTP1B. Crystal structures of ligand-bound PTP1B reveal that both the aryl diketoacid and its dimeric derivative bind PTP1B at the active site, albeit with distinct modes of interaction, in the catalytically inactive, WPD loop open conformation. Furthermore, dimeric aryl diketoacids are cell permeable and enhance insulin signaling in hepatoma cells, suggesting that targeting the inactive conformation may provide a unique opportunity for creating active site-directed PTP1B inhibitors with improved pharmacological properties.
-
-	Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.,Liu S, Zeng LF, Wu L, Yu X, Xue T, Gunawan AM, Long YQ, Zhang ZY J Am Chem Soc. 2008 Dec 17;130(50):17075-84. PMID:19012396<ref>PMID:19012396</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3eb1" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Protein-tyrosine-phosphatase]]~~	+	[[Category: Gunawan AM]]
-	[[Category: Gunawan~~, A M~~]]	+	[[Category: Liu S]]
-	[[Category: Liu, S]]	+	[[Category: Long Y-Q]]
-	[[Category: Long, Y Q]]	+	[[Category: Wu L]]
-	[[Category: Wu, L]]	+	[[Category: Xue T]]
-	[[Category: Xue, T]]	+	[[Category: Yu X]]
-	[[Category: Yu, X]]	+	[[Category: Zhang Z-Y]]
-	[[Category: Zhang, Z Y]]	+	[[Category: Zheng L-F]]
-	[[Category: Zheng, L F]]	+
-	~~[[Category: Acetylation]]~~	+
-	~~[[Category: Endoplasmic reticulum]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Membrane]]~~	+
-	~~[[Category: Oxidation]]~~	+
-	~~[[Category: Phosphoprotein]]~~	+
-	~~[[Category: Polymorphism]]~~	+
-	~~[[Category: Protein phosphatase]]~~	+
-	~~[[Category: Protein tyrosine phosphatase]]~~	+
-	~~[[Category: Ptp1b~~]]	+

OCA at 11:45, 16 February 2022

OCA — Wed, 16 Feb 2022 11:45:24 GMT

←Older revision		Revision as of 11:45, 16 February 2022
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	==Crystal structure PTP1B complex with small molecule inhibitor LZP-25==		==Crystal structure PTP1B complex with small molecule inhibitor LZP-25==
-	<StructureSection load='3eb1' size='340' side='right' caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='3eb1' size='340' side='right'caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eax\|3eax]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3eax\|3eax]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([https://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/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [~~http~~://pdbe.org/3eb1 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3eb1 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3eb1 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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [https://pdbe.org/3eb1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [https://www.ebi.ac.uk/pdbsum/3eb1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3eb1 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN]] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>	+	[[https://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN]] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</div>		</div>
	<div class="pdbe-citations 3eb1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3eb1" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tyrosine phosphatase 3D structures\|Tyrosine phosphatase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Protein-tyrosine-phosphatase]]		[[Category: Protein-tyrosine-phosphatase]]
	[[Category: Gunawan, A M]]		[[Category: Gunawan, A M]]

OCA at 19:15, 24 January 2018

OCA — Wed, 24 Jan 2018 19:15:03 GMT

←Older revision		Revision as of 19:15, 24 January 2018
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		+
	==Crystal structure PTP1B complex with small molecule inhibitor LZP-25==		==Crystal structure PTP1B complex with small molecule inhibitor LZP-25==
	<StructureSection load='3eb1' size='340' side='right' caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='3eb1' size='340' side='right' caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([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/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://pdbe.org/3eb1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://pdbe.org/3eb1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3eb1 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 15:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/eb/3eb1_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/eb/3eb1_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 30:		Line 31:
	</div>		</div>
	<div class="pdbe-citations 3eb1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3eb1" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Tyrosine phosphatase\|Tyrosine phosphatase]]
	== References ==		== References ==
	<references/>		<references/>
Line 47:		Line 45:
	[[Category: Zhang, Z Y]]		[[Category: Zhang, Z Y]]
	[[Category: Zheng, L F]]		[[Category: Zheng, L F]]
		+	[[Category: Acetylation]]
	[[Category: Endoplasmic reticulum]]		[[Category: Endoplasmic reticulum]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
Line 53:		Line 52:
	[[Category: Oxidation]]		[[Category: Oxidation]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]
		+	[[Category: Polymorphism]]
	[[Category: Protein phosphatase]]		[[Category: Protein phosphatase]]
	[[Category: Protein tyrosine phosphatase]]		[[Category: Protein tyrosine phosphatase]]
	[[Category: Ptp1b]]		[[Category: Ptp1b]]

OCA at 18:58, 9 February 2016

OCA — Tue, 09 Feb 2016 18:58:47 GMT

←Older revision		Revision as of 18:58, 9 February 2016
Line 2:		Line 2:
	<StructureSection load='3eb1' size='340' side='right' caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='3eb1' size='340' side='right' caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eax\|3eax]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eax\|3eax]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([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/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://pdbe.org/3eb1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	<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=3eb1 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 29:
	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 3eb1" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 37:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Protein-tyrosine-phosphatase]]		[[Category: Protein-tyrosine-phosphatase]]
	[[Category: Gunawan, A M]]		[[Category: Gunawan, A M]]

OCA at 08:52, 25 December 2014

OCA — Thu, 25 Dec 2014 08:52:05 GMT

←Older revision		Revision as of 08:52, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eax\|3eax]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eax\|3eax]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([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/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN]] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 38:
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Protein-tyrosine-phosphatase]]		[[Category: Protein-tyrosine-phosphatase]]
-	[[Category: Gunawan, A M.]]	+	[[Category: Gunawan, A M]]
-	[[Category: Liu, S.]]	+	[[Category: Liu, S]]
-	[[Category: Long, Y Q.]]	+	[[Category: Long, Y Q]]
-	[[Category: Wu, L.]]	+	[[Category: Wu, L]]
-	[[Category: Xue, T.]]	+	[[Category: Xue, T]]
-	[[Category: Yu, X.]]	+	[[Category: Yu, X]]
	[[Category: Zhang, Z Y]]		[[Category: Zhang, Z Y]]
-	[[Category: Zheng, L F.]]	+	[[Category: Zheng, L F]]
	[[Category: Endoplasmic reticulum]]		[[Category: Endoplasmic reticulum]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 13:14, 29 September 2014

OCA — Mon, 29 Sep 2014 13:14:49 GMT

←Older revision		Revision as of 13:14, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3eb1.~~png~~\|~~left~~\|200px]]	+	==Crystal structure PTP1B complex with small molecule inhibitor LZP-25==
		+	<StructureSection load='3eb1' size='340' side='right' caption='[[3eb1]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3eb1]] 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=3EB1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3EB1 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=LZQ:4-[3-(DIBENZYLAMINO)PHENYL]-2,4-DIOXOBUTANOIC+ACID'>LZQ</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3eax\|3eax]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTPN1, PTP1B ([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/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </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=3eb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3eb1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3eb1 RCSB], [http://www.ebi.ac.uk/pdbsum/3eb1 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/eb/3eb1_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 ==
		+	There has been considerable interest in protein tyrosine phosphatase 1B (PTP1B) as a therapeutic target for diabetes, obesity, as well as cancer. Identifying inhibitory compounds with good bioavailability is a major challenge of drug discovery programs targeted toward PTPs. Most current PTP active site-directed pharmacophores are negatively charged pTyr mimetics which cannot readily enter the cell. This lack of cell permeability limits the utility of such compounds in signaling studies and further therapeutic development. We identify aryl diketoacids as novel pTyr surrogates and show that neutral amide-linked aryl diketoacid dimers also exhibit excellent PTP inhibitory activity. Kinetic studies establish that these aryl diketoacid derivatives act as noncompetitive inhibitors of PTP1B. Crystal structures of ligand-bound PTP1B reveal that both the aryl diketoacid and its dimeric derivative bind PTP1B at the active site, albeit with distinct modes of interaction, in the catalytically inactive, WPD loop open conformation. Furthermore, dimeric aryl diketoacids are cell permeable and enhance insulin signaling in hepatoma cells, suggesting that targeting the inactive conformation may provide a unique opportunity for creating active site-directed PTP1B inhibitors with improved pharmacological properties.

-	~~{{STRUCTURE_3eb1\| PDB=3eb1 \| SCENE= }}~~	+	Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.,Liu S, Zeng LF, Wu L, Yu X, Xue T, Gunawan AM, Long YQ, Zhang ZY J Am Chem Soc. 2008 Dec 17;130(50):17075-84. PMID:19012396<ref>PMID:19012396</ref>

-	~~===Crystal structure PTP1B complex with small molecule inhibitor LZP-25===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19012396}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3eb1]] 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=3EB1 OCA].~~	+

	==See Also==		==See Also==
	*[[Tyrosine phosphatase\|Tyrosine phosphatase]]		*[[Tyrosine phosphatase\|Tyrosine phosphatase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019012396<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Protein-tyrosine-phosphatase]]		[[Category: Protein-tyrosine-phosphatase]]

OCA at 14:49, 20 October 2012

OCA — Sat, 20 Oct 2012 14:49:27 GMT

←Older revision		Revision as of 14:49, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3eb1]] is a 1 chain structure ~~of [[Tyrosine phosphatase]]~~ 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=3EB1 OCA].	+	[[3eb1]] 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=3EB1 OCA].

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

OCA at 11:29, 14 August 2012

OCA — Tue, 14 Aug 2012 11:29:01 GMT

←Older revision		Revision as of 11:29, 14 August 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3eb1]] is a 1 chain structure of ~~[[Proten tyrosine phosphatase]] and~~ [[Tyrosine phosphatase]] 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=3EB1 OCA].	+	[[3eb1]] is a 1 chain structure of [[Tyrosine phosphatase]] 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=3EB1 OCA].

	==See Also==		==See Also==
-	*[[Proten tyrosine phosphatase\|Proten tyrosine phosphatase]]
	*[[Tyrosine phosphatase\|Tyrosine phosphatase]]		*[[Tyrosine phosphatase\|Tyrosine phosphatase]]

OCA: Protected "3eb1" [edit=sysop:move=sysop]

OCA — Thu, 26 Jul 2012 16:23:41 GMT

Protected "3eb1" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:23, 26 July 2012

OCA at 16:23, 26 July 2012

OCA — Thu, 26 Jul 2012 16:23:40 GMT

←Older revision		Revision as of 16:23, 26 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:3eb1.png\|left\|200px]]		[[Image:3eb1.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3eb1", 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_3eb1\| PDB=3eb1 \| SCENE= }}		{{STRUCTURE_3eb1\| PDB=3eb1 \| SCENE= }}

	===Crystal structure PTP1B complex with small molecule inhibitor LZP-25===		===Crystal structure PTP1B complex with small molecule inhibitor LZP-25===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19012396}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19012396 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19012396}}		{{ABSTRACT_PUBMED_19012396}}

	==About this Structure==		==About this Structure==
-	~~3EB1~~ is a 1 chain structure of 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=3EB1 OCA].	+	[[3eb1]] is a 1 chain structure of [[Proten tyrosine phosphatase]] and [[Tyrosine phosphatase]] 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=3EB1 OCA].
		+
		+	==See Also==
		+	*[[Proten tyrosine phosphatase\|Proten tyrosine phosphatase]]
		+	*[[Tyrosine phosphatase\|Tyrosine phosphatase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19012396~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019012396</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Protein-tyrosine-phosphatase]]		[[Category: Protein-tyrosine-phosphatase]]
Line 34:		Line 26:
	[[Category: Zhang, Z Y]]		[[Category: Zhang, Z Y]]
	[[Category: Zheng, L F.]]		[[Category: Zheng, L F.]]
-	[[Category: Acetylation]]
-	[[Category: Crystal structure]]
	[[Category: Endoplasmic reticulum]]		[[Category: Endoplasmic reticulum]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
Line 42:		Line 32:
	[[Category: Oxidation]]		[[Category: Oxidation]]
	[[Category: Phosphoprotein]]		[[Category: Phosphoprotein]]
-	[[Category: Polymorphism]]
	[[Category: Protein phosphatase]]		[[Category: Protein phosphatase]]
	[[Category: Protein tyrosine phosphatase]]		[[Category: Protein tyrosine phosphatase]]
	[[Category: Ptp1b]]		[[Category: Ptp1b]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 5 08:58:59 2009''