4uia

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'''Unreleased structure'''
 
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The entry 4uia is ON HOLD until Paper Publication
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==Crystal structure of 3a in complex with tafCPB==
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<StructureSection load='4uia' size='340' side='right'caption='[[4uia]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4uia]] 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=4UIA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UIA FirstGlance]. <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]] 2.18&#8491;</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=FH9:(2S)-6-AZANYL-2-[[(2R)-3-CYCLOHEXYL-1-(3-METHYLBUTYLAMINO)-1-OXIDANYLIDENE-PROPAN-2-YL]CARBAMOYLAMINO]HEXANOIC+ACID'>FH9</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4uia FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uia OCA], [https://pdbe.org/4uia PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4uia RCSB], [https://www.ebi.ac.uk/pdbsum/4uia PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4uia ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CBPB1_PIG CBPB1_PIG]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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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Authors: Halland, N., Broenstrup, M., Czech, J., Czechtizky, W., Evers, A., Follmann, M., Kohlmann, M., Schiell, M., Kurz, M., Schreuder, H.A., Kallus, C.
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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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Description: Crystal structure of 3a in complex with tafCPB
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Broenstrup, M]]
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<div class="pdbe-citations 4uia" style="background-color:#fffaf0;"></div>
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[[Category: Kurz, M]]
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[[Category: Schiell, M]]
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==See Also==
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[[Category: Evers, A]]
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*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]]
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[[Category: Schreuder, H.A]]
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== References ==
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[[Category: Kallus, C]]
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<references/>
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[[Category: Kohlmann, M]]
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__TOC__
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[[Category: Follmann, M]]
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</StructureSection>
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[[Category: Halland, N]]
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[[Category: Large Structures]]
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[[Category: Czech, J]]
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[[Category: Sus scrofa]]
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[[Category: Czechtizky, W]]
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[[Category: Broenstrup M]]
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[[Category: Czech J]]
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[[Category: Czechtizky W]]
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[[Category: Evers A]]
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[[Category: Follmann M]]
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[[Category: Halland N]]
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[[Category: Kallus C]]
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[[Category: Kohlmann M]]
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[[Category: Kurz M]]
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[[Category: Schiell M]]
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[[Category: Schreuder HA]]

Current revision

Crystal structure of 3a in complex with tafCPB

PDB ID 4uia

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