5lyf: Difference between revisions
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==Crystal structure of 1 in complex with tafCPB== | ==Crystal structure of 1 in complex with tafCPB== | ||
<StructureSection load='5lyf' size='340' side='right' caption='[[5lyf]], [[Resolution|resolution]] 2.01Å' scene=''> | <StructureSection load='5lyf' size='340' side='right'caption='[[5lyf]], [[Resolution|resolution]] 2.01Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5lyf]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LYF OCA]. For a <b>guided tour on the structure components</b> use [http:// | <table><tr><td colspan='2'>[[5lyf]] 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=5LYF OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LYF FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7B6:(2~{S})-6-AZANYL-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-BICYCLO[2.2.1]HEPTANYL]AMINO]-3-CYCLOHEXYL-1-OXIDANYLIDENE-PROPAN-2-YL]CARBAMOYLAMINO]HEXANOIC+ACID'>7B6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7B6:(2~{S})-6-AZANYL-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-BICYCLO[2.2.1]HEPTANYL]AMINO]-3-CYCLOHEXYL-1-OXIDANYLIDENE-PROPAN-2-YL]CARBAMOYLAMINO]HEXANOIC+ACID'>7B6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CPB1, CPB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9823 PIG])</td></tr> | |||
<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> | <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> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http:// | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5lyf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lyf OCA], [http://pdbe.org/5lyf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lyf RCSB], [http://www.ebi.ac.uk/pdbsum/5lyf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lyf ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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</div> | </div> | ||
<div class="pdbe-citations 5lyf" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 5lyf" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Carboxypeptidase B]] | [[Category: Carboxypeptidase B]] | ||
[[Category: Large Structures]] | |||
[[Category: Pig]] | |||
[[Category: Liesum, A]] | [[Category: Liesum, A]] | ||
[[Category: Loenze, P]] | [[Category: Loenze, P]] | ||
Revision as of 13:54, 12 August 2020
Crystal structure of 1 in complex with tafCPBCrystal structure of 1 in complex with tafCPB
Structural highlights
Publication Abstract from PubMedPreviously disclosed TAFIa inhibitors having a urea zinc-binding motif were used as the starting point for the development of a novel class of highly potent inhibitors having a sulfamide zinc-binding motif. High-resolution X-ray cocrystal structures were used to optimize the structures and reveal a highly unusual sulfamide configuration. A selected sulfamide was profiled in vitro and in vivo and displayed a promising ADMET profile. Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).,Halland N, Czech J, Czechtizky W, Evers A, Follmann M, Kohlmann M, Schreuder HA, Kallus C J Med Chem. 2016 Oct 17. PMID:27749053[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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