2viw

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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='2viw' size='340' side='right' caption='[[2viw]], [[Resolution|resolution]] 2.05&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='2viw' size='340' side='right'caption='[[2viw]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2viw]] 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=2VIW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VIW FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2viw]] 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=2VIW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VIW 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=D56:4-(2-AMINOETHOXY)-N-(3-CHLORO-2-ETHOXY-5-PIPERIDIN-1-YLPHENYL)-3,5-DIMETHYLBENZAMIDE'>D56</scene><br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.05&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1c5w|1c5w]], [[1c5x|1c5x]], [[1c5y|1c5y]], [[1c5z|1c5z]], [[1ejn|1ejn]], [[1fv9|1fv9]], [[1gi7|1gi7]], [[1gi9|1gi9]], [[1gj7|1gj7]], [[1gj8|1gj8]], [[1gj9|1gj9]], [[1gjc|1gjc]], [[1kdu|1kdu]], [[1o5c|1o5c]], [[1owd|1owd]], [[1owh|1owh]], [[1owj|1owj]], [[1sc8|1sc8]], [[1f5l|1f5l]], [[1f92|1f92]], [[1gi8|1gi8]], [[1gja|1gja]], [[1gjb|1gjb]], [[1gjd|1gjd]], [[1lmw|1lmw]], [[1o3p|1o3p]], [[1o5a|1o5a]], [[1o5b|1o5b]], [[1owe|1owe]], [[1owi|1owi]], [[1owk|1owk]], [[1sqa|1sqa]], [[1sqo|1sqo]], [[1sqt|1sqt]], [[1u6q|1u6q]], [[1vj9|1vj9]], [[1w0z|1w0z]], [[1w10|1w10]], [[1w12|1w12]], [[1w14|1w14]], [[1vja|1vja]], [[1w11|1w11]], [[1w13|1w13]], [[2jde|2jde]], [[2vin|2vin]], [[2vio|2vio]], [[2vip|2vip]], [[2viq|2viq]], [[2viv|2viv]]</td></tr>
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<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=D56:4-(2-AMINOETHOXY)-N-(3-CHLORO-2-ETHOXY-5-PIPERIDIN-1-YLPHENYL)-3,5-DIMETHYLBENZAMIDE'>D56</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2viw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2viw OCA], [https://pdbe.org/2viw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2viw RCSB], [https://www.ebi.ac.uk/pdbsum/2viw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2viw ProSAT]</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=2viw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2viw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2viw RCSB], [http://www.ebi.ac.uk/pdbsum/2viw PDBsum]</span></td></tr>
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</table>
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<table>
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== 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/2viw_consurf.spt"</scriptWhenChecked>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vi/2viw_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2viw 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 2viw" 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/>
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</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: U-plasminogen activator]]
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[[Category: Large Structures]]
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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 SR]]
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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 JE]]
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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 NG]]
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[[Category: Blood coagulation]]
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[[Category: Egf-like domain]]
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[[Category: Fibrinolysis]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Inhibitor]]
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[[Category: Kringle]]
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[[Category: Phosphorylation]]
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[[Category: Plasminogen activation]]
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[[Category: Protease]]
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[[Category: Secreted]]
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[[Category: Serine protease]]
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[[Category: Urokinase-type plasminogen activator]]
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[[Category: Zymogen]]
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Current revision

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

PDB ID 2viw

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