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4uib

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==Crystal structure of 3p in complex with tafCPB==
==Crystal structure of 3p in complex with tafCPB==
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<StructureSection load='4uib' size='340' side='right' caption='[[4uib]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
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<StructureSection load='4uib' size='340' side='right'caption='[[4uib]], [[Resolution|resolution]] 1.94&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4uib]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pig Pig]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UIB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UIB FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4uib]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UIB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UIB 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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GWX:(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC+ACID'>GWX</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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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]] 1.94&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4uia|4uia]]</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GWX:(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC+ACID'>GWX</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_B Carboxypeptidase B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.2 3.4.17.2] </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=4uib FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uib OCA], [https://pdbe.org/4uib PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4uib RCSB], [https://www.ebi.ac.uk/pdbsum/4uib PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4uib ProSAT]</span></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=4uib FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uib OCA], [http://pdbe.org/4uib PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4uib RCSB], [http://www.ebi.ac.uk/pdbsum/4uib PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4uib ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/CBPB1_PIG CBPB1_PIG]
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Anabaenopeptins isolated from cyanobacteria were identified as inhibitors of carboxypeptidase TAFIa. Cocrystal structures of these macrocyclic natural product inhibitors in a modified porcine carboxypeptidase B revealed their binding mode and provided the basis for the rational design of small molecule inhibitors with a previously unknown central urea motif. Optimization based on these design concepts allowed for a rapid evaluation of the SAR and delivered potent small molecule inhibitors of TAFIa with a promising overall profile.
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Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin.,Halland N, Bronstrup M, Czech J, Czechtizky W, Evers A, Follmann M, Kohlmann M, Schiell M, Kurz M, Schreuder HA, Kallus C J Med Chem. 2015 May 20. PMID:25990761<ref>PMID:25990761</ref>
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==See Also==
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*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]]
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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 4uib" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Carboxypeptidase B]]
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[[Category: Large Structures]]
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[[Category: Pig]]
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[[Category: Sus scrofa]]
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[[Category: Broenstrup, M]]
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[[Category: Broenstrup M]]
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[[Category: Czech, J]]
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[[Category: Czech J]]
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[[Category: Czechtizky, W]]
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[[Category: Czechtizky W]]
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[[Category: Evers, A]]
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[[Category: Evers A]]
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[[Category: Follmann, M]]
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[[Category: Follmann M]]
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[[Category: Halland, N]]
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[[Category: Halland N]]
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[[Category: Kallus, C]]
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[[Category: Kallus C]]
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[[Category: Kohlmann, M]]
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[[Category: Kohlmann M]]
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[[Category: Kurz, M]]
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[[Category: Kurz M]]
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[[Category: Schiell, M]]
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[[Category: Schiell M]]
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[[Category: Schreuder, H A]]
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[[Category: Schreuder HA]]
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[[Category: Drug discovery]]
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[[Category: Fibrinolysis]]
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[[Category: Hydrolase]]
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[[Category: Tafi]]
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[[Category: Thrombosis]]
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Current revision

Crystal structure of 3p in complex with tafCPB

PDB ID 4uib

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