5lyi: Difference between revisions
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New page: '''Unreleased structure''' The entry 5lyi is ON HOLD Authors: Schreuder, H., Liesum, A., Loenze, P. Description: Crystal structure of 1 in complex with tafCPB [[Category: Unreleased St... |
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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 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=5LYI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LYI FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.64Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5lyi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lyi OCA], [https://pdbe.org/5lyi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lyi RCSB], [https://www.ebi.ac.uk/pdbsum/5lyi PDBsum], [https://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> | ||
[[Category: | <div class="pdbe-citations 5lyi" style="background-color:#fffaf0;"></div> | ||
[[Category: Liesum | |||
[[Category: Schreuder | ==See Also== | ||
*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Sus scrofa]] | |||
[[Category: Liesum A]] | |||
[[Category: Loenze P]] | |||
[[Category: Schreuder H]] | |||
Latest revision as of 04:23, 21 November 2024
Crystal structure of 1 in complex with tafCPB
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