3e16

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[[Image:3e16.png|left|200px]]
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==X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3==
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<StructureSection load='3e16' size='340' side='right' caption='[[3e16]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3e16]] 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=3E16 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3E16 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B4C:BENZYL+[(1S)-5-AMINO-1-{[(1S)-1-({(1S)-5-AMINO-1-[(S)-1,3-BENZOXAZOL-2-YL(HYDROXY)METHYL]PENTYL}CARBAMOYL)-3-PHENYLPROPYL]CARBAMOYL}PENTYL]CARBAMATE'>B4C</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3eon|3eon]], [[3eop|3eop]], [[3e1x|3e1x]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PRSS8 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
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<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=3e16 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e16 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3e16 RCSB], [http://www.ebi.ac.uk/pdbsum/3e16 PDBsum]</span></td></tr>
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</table>
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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/e1/3e16_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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/chain_selection.php?pdb_ID=2ata 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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Structure-based design was utilized to guide the early stage optimization of a substrate-like inhibitor to afford potent peptidomimetic inhibitors of the channel-activating protease prostasin. The first X-ray crystal structures of prostasin with small molecule inhibitors bound to the active site are also reported.
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{{STRUCTURE_3e16| PDB=3e16 | SCENE= }}
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Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.,Tully DC, Vidal A, Chatterjee AK, Williams JA, Roberts MJ, Petrassi HM, Spraggon G, Bursulaya B, Pacoma R, Shipway A, Schumacher AM, Danahay H, Harris JL Bioorg Med Chem Lett. 2008 Nov 15;18(22):5895-9. Epub 2008 Aug 14. PMID:18752942<ref>PMID:18752942</ref>
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===X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3===
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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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{{ABSTRACT_PUBMED_18752942}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[3e16]] 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=3E16 OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:018752942</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Harris, J L.]]
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[[Category: Harris, J L]]
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[[Category: Hornsby, M.]]
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[[Category: Hornsby, M]]
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[[Category: Lesley, S A.]]
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[[Category: Lesley, S A]]
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[[Category: Shipway, A.]]
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[[Category: Shipway, A]]
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[[Category: Spraggon, G.]]
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[[Category: Spraggon, G]]
[[Category: Benzoxazole]]
[[Category: Benzoxazole]]
[[Category: Cell membrane]]
[[Category: Cell membrane]]

Revision as of 13:30, 19 November 2014

X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3

3e16, resolution 1.60Å

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