2vio

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==FRAGMENT-BASED DISCOVERY OF MEXILETINE DERIVATIVES AS ORALLY BIOAVAILABLE INHIBITORS OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR==
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<StructureSection load='2vio' size='340' side='right' caption='[[2vio]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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==Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator==
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<StructureSection load='2vio' size='340' side='right'caption='[[2vio]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2vio]] 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=2VIO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VIO FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2vio]] 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=2VIO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VIO FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=L1O:4-(2-AMINOETHOXY)-3,5-DICHLOROBENZOIC+ACID'>L1O</scene><br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=L1O:4-(2-AMINOETHOXY)-3,5-DICHLOROBENZOIC+ACID'>L1O</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1c5x|1c5x]], [[1gj9|1gj9]], [[1w0z|1w0z]], [[1fv9|1fv9]], [[1vja|1vja]], [[1gj8|1gj8]], [[1w11|1w11]], [[1sqo|1sqo]], [[1gjd|1gjd]], [[1w10|1w10]], [[1owk|1owk]], [[1w12|1w12]], [[1gi9|1gi9]], [[1o5a|1o5a]], [[1c5z|1c5z]], [[1owj|1owj]], [[1gi7|1gi7]], [[1o5b|1o5b]], [[1gjc|1gjc]], [[1sc8|1sc8]], [[1gja|1gja]], [[1o3p|1o3p]], [[1owe|1owe]], [[1sqa|1sqa]], [[1gjb|1gjb]], [[1f92|1f92]], [[1owi|1owi]], [[1kdu|1kdu]], [[1sqt|1sqt]], [[1f5l|1f5l]], [[1owd|1owd]], [[1ejn|1ejn]], [[1lmw|1lmw]], [[1u6q|1u6q]], [[1gi8|1gi8]], [[2jde|2jde]], [[1c5y|1c5y]], [[1w14|1w14]], [[1vj9|1vj9]], [[1w13|1w13]], [[1gj7|1gj7]], [[1c5w|1c5w]], [[1owh|1owh]], [[1o5c|1o5c]], [[2vin|2vin]], [[2vip|2vip]], [[2viq|2viq]], [[2viv|2viv]], [[2viw|2viw]]</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1c5x|1c5x]], [[1gj9|1gj9]], [[1w0z|1w0z]], [[1fv9|1fv9]], [[1vja|1vja]], [[1gj8|1gj8]], [[1w11|1w11]], [[1sqo|1sqo]], [[1gjd|1gjd]], [[1w10|1w10]], [[1owk|1owk]], [[1w12|1w12]], [[1gi9|1gi9]], [[1o5a|1o5a]], [[1c5z|1c5z]], [[1owj|1owj]], [[1gi7|1gi7]], [[1o5b|1o5b]], [[1gjc|1gjc]], [[1sc8|1sc8]], [[1gja|1gja]], [[1o3p|1o3p]], [[1owe|1owe]], [[1sqa|1sqa]], [[1gjb|1gjb]], [[1f92|1f92]], [[1owi|1owi]], [[1kdu|1kdu]], [[1sqt|1sqt]], [[1f5l|1f5l]], [[1owd|1owd]], [[1ejn|1ejn]], [[1lmw|1lmw]], [[1u6q|1u6q]], [[1gi8|1gi8]], [[2jde|2jde]], [[1c5y|1c5y]], [[1w14|1w14]], [[1vj9|1vj9]], [[1w13|1w13]], [[1gj7|1gj7]], [[1c5w|1c5w]], [[1owh|1owh]], [[1o5c|1o5c]], [[2vin|2vin]], [[2vip|2vip]], [[2viq|2viq]], [[2viv|2viv]], [[2viw|2viw]]</div></td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/U-plasminogen_activator U-plasminogen activator], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.73 3.4.21.73] </span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/U-plasminogen_activator U-plasminogen activator], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.73 3.4.21.73] </span></td></tr>
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<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=2vio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vio OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vio RCSB], [http://www.ebi.ac.uk/pdbsum/2vio PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2vio FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vio OCA], [https://pdbe.org/2vio PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vio RCSB], [https://www.ebi.ac.uk/pdbsum/2vio PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vio ProSAT]</span></td></tr>
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<table>
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</table>
== Disease ==
== Disease ==
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[[http://www.uniprot.org/uniprot/UROK_HUMAN UROK_HUMAN]] Defects in PLAU are the cause of Quebec platelet disorder (QPD) [MIM:[http://omim.org/entry/601709 601709]]. QPD is an autosomal dominant bleeding disorder due to a gain-of-function defect in fibrinolysis. Although affected individuals do not exhibit systemic fibrinolysis, they show delayed onset bleeding after challenge, such as surgery. The hallmark of the disorder is markedly increased PLAU levels within platelets, which causes intraplatelet plasmin generation and secondary degradation of alpha-granule proteins.<ref>PMID:20007542</ref>
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[[https://www.uniprot.org/uniprot/UROK_HUMAN UROK_HUMAN]] Defects in PLAU are the cause of Quebec platelet disorder (QPD) [MIM:[https://omim.org/entry/601709 601709]]. QPD is an autosomal dominant bleeding disorder due to a gain-of-function defect in fibrinolysis. Although affected individuals do not exhibit systemic fibrinolysis, they show delayed onset bleeding after challenge, such as surgery. The hallmark of the disorder is markedly increased PLAU levels within platelets, which causes intraplatelet plasmin generation and secondary degradation of alpha-granule proteins.<ref>PMID:20007542</ref>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/UROK_HUMAN UROK_HUMAN]] Specifically cleaves the zymogen plasminogen to form the active enzyme plasmin.
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[[https://www.uniprot.org/uniprot/UROK_HUMAN UROK_HUMAN]] Specifically cleaves the zymogen plasminogen to form the active enzyme plasmin.
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
<jmolCheckbox>
<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vi/2vio_consurf.spt"</scriptWhenChecked>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vi/2vio_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>
</jmolCheckbox>
</jmolCheckbox>
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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/chain_selection.php?pdb_ID=2ata ConSurf].
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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=2vio ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 2vio" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Urokinase|Urokinase]]
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*[[Urokinase 3D Structures|Urokinase 3D Structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Large Structures]]
[[Category: U-plasminogen activator]]
[[Category: U-plasminogen activator]]
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[[Category: Callaghan, O.]]
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[[Category: Callaghan, O]]
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[[Category: Chessari, G.]]
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[[Category: Chessari, G]]
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[[Category: Congreve, M.]]
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[[Category: Congreve, M]]
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[[Category: Cowan, S R.]]
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[[Category: Cowan, S R]]
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[[Category: Frederickson, M.]]
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[[Category: Frederickson, M]]
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[[Category: Matthews, J E.]]
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[[Category: Matthews, J E]]
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[[Category: Mcmenamin, R.]]
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[[Category: McMenamin, R]]
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[[Category: Smith, D.]]
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[[Category: Smith, D]]
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[[Category: Vinkovic, M.]]
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[[Category: Vinkovic, M]]
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[[Category: Wallis, N G.]]
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[[Category: Wallis, N G]]
[[Category: Blood coagulation]]
[[Category: Blood coagulation]]
[[Category: Egf-like domain]]
[[Category: Egf-like domain]]
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[[Category: Inhibitor]]
[[Category: Inhibitor]]
[[Category: Kringle]]
[[Category: Kringle]]
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[[Category: Pharmaceutical]]
[[Category: Phosphorylation]]
[[Category: Phosphorylation]]
[[Category: Plasminogen activation]]
[[Category: Plasminogen activation]]
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[[Category: Polymorphism]]
[[Category: Protease]]
[[Category: Protease]]
[[Category: Secreted]]
[[Category: Secreted]]

Current revision

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

PDB ID 2vio

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