5lyi: Difference between revisions
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==Crystal structure of 1 in complex with tafCPB== | |||
<StructureSection load='5lyi' size='340' side='right' caption='[[5lyi]], [[Resolution|resolution]] 1.64Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5lyi]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LYI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LYI FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=T4F:(2~{S})-6-AZANYL-2-[[(2~{S})-3-CYCLOHEXYL-1-OXIDANYLIDENE-1-[[(1~{R},2~{S},4~{R})-1,7,7-TRIMETHYL-2-BICYCLO[2.2.1]HEPTANYL]AMINO]PROPAN-2-YL]SULFAMOYLAMINO]HEXANOIC+ACID'>T4F</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5lyl|5lyl]]</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://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5lyi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lyi OCA], [http://pdbe.org/5lyi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lyi RCSB], [http://www.ebi.ac.uk/pdbsum/5lyi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lyi ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Previously 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<ref>PMID:27749053</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 5lyi" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Carboxypeptidase B]] | |||
[[Category: Liesum, A]] | |||
[[Category: Loenze, P]] | [[Category: Loenze, P]] | ||
[[Category: Schreuder, H]] | [[Category: Schreuder, H]] | ||
[[Category: Hydrolase]] | |||
[[Category: Tafinized carboxypeptidase b]] | |||
Revision as of 18:28, 26 October 2016
Crystal structure of 1 in complex with tafCPB
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