2uwl

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[[Image:2uwl.gif|left|200px]]
 
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{{Structure
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==Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa==
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|PDB= 2uwl |SIZE=350|CAPTION= <scene name='initialview01'>2uwl</scene>, resolution 1.90&Aring;
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<StructureSection load='2uwl' size='340' side='right'caption='[[2uwl]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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|SITE= <scene name='pdbsite=AC1:895+Binding+Site+For+Chain+A'>AC1</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=895:2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE'>895</scene>
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<table><tr><td colspan='2'>[[2uwl]] is a 2 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=2UWL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2UWL FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span>
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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]] 1.9&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=895:2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE'>895</scene></td></tr>
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|DOMAIN=
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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=2uwl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uwl OCA], [https://pdbe.org/2uwl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2uwl RCSB], [https://www.ebi.ac.uk/pdbsum/2uwl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2uwl ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2uwl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uwl OCA], [http://www.ebi.ac.uk/pdbsum/2uwl PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2uwl RCSB]</span>
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== Disease ==
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}}
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[https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[https://omim.org/entry/227600 227600]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/uw/2uwl_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</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/main_output.php?pdb_ID=2uwl ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The synthetic entry to new classes of dual fXa/thrombin and selective thrombin inhibitors with significant oral bioavailability is described. This was achieved through minor modifications to the sulfonamide group in our potent and selective fXa inhibitor (E)-2-(5-chlorothien-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-(morpholin-4-yl)-2-o xoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide and these observed activity changes have been rationalised using structural studies.
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'''SELECTIVE AND DUAL ACTION ORALLY ACTIVE INHIBITORS OF THROMBIN AND FACTOR XA'''
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Selective and dual action orally active inhibitors of thrombin and factor Xa.,Young RJ, Brown D, Burns-Kurtis CL, Chan C, Convery MA, Hubbard JA, Kelly HA, Pateman AJ, Patikis A, Senger S, Shah GP, Toomey JR, Watson NS, Zhou P Bioorg Med Chem Lett. 2007 May 15;17(10):2927-30. Epub 2007 Mar 30. PMID:17420122<ref>PMID:17420122</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2uwl" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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2UWL is a [[Single protein]] 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=2UWL OCA].
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*[[Factor Xa|Factor Xa]]
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[[Category: Coagulation factor Xa]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Brown, D.]]
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[[Category: Brown D]]
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[[Category: Burns-Kurtis, C L.]]
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[[Category: Burns-Kurtis CL]]
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[[Category: Chan, C.]]
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[[Category: Chan C]]
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[[Category: Convery, M A.]]
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[[Category: Convery MA]]
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[[Category: Hubbard, J A.]]
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[[Category: Hubbard JA]]
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[[Category: Kelly, H A.]]
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[[Category: Kelly HA]]
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[[Category: Pateman, A J.]]
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[[Category: Pateman AJ]]
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[[Category: Patikis, A.]]
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[[Category: Patikis A]]
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[[Category: Senger, S.]]
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[[Category: Senger S]]
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[[Category: Shah, G P.]]
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[[Category: Shah GP]]
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[[Category: Toomey, J R.]]
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[[Category: Toomey JR]]
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[[Category: Watson, N S.]]
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[[Category: Watson NS]]
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[[Category: Young, R J.]]
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[[Category: Young RJ]]
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[[Category: Zhou, P.]]
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[[Category: Zhou P]]
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[[Category: blood coagulation]]
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[[Category: calcium]]
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[[Category: cleavage on pair of basic residue]]
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[[Category: complex]]
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[[Category: egf-like domain]]
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[[Category: gamma-carboxyglutamic acid]]
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[[Category: glycoprotein]]
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[[Category: hydrolase]]
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[[Category: hydroxylation]]
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[[Category: polymorphism]]
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[[Category: protease]]
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[[Category: serine protease]]
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[[Category: target hopping]]
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[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:05:26 2008''
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Current revision

Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa

PDB ID 2uwl

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