6lka
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds== | |
| + | <StructureSection load='6lka' size='340' side='right'caption='[[6lka]], [[Resolution|resolution]] 2.03Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LKA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6LKA 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]] 2.033Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EGF:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide'>EGF</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=6lka FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6lka OCA], [https://pdbe.org/6lka PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6lka RCSB], [https://www.ebi.ac.uk/pdbsum/6lka PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6lka ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We describe here the design, synthesis, and evaluation of a macrocyclic peptidomimetic as a potent agent targeting enterovirus A71 (EV71). The compound has a 15-membered macrocyclic ring in a defined conformation. Yamaguchi esterification reaction was used to close the 15-membered macrocycle instead of the typical Ru-catalyzed ring-closing olefin metathesis reaction. The crystallographic characterization of the complex between this compound and its target, 3C protease from EV71, validated the design and paved the way for the generation of a new series of anti-EV71 agents. | ||
| - | + | Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.,Li P, Wu S, Xiao T, Li Y, Su Z, Wei W, Hao F, Hu G, Lin F, Chen X, Gu Z, Lin T, He H, Li J, Chen S Bioorg Med Chem. 2020 Jun 15;28(12):115551. doi: 10.1016/j.bmc.2020.115551. Epub , 2020 May 8. PMID:32503695<ref>PMID:32503695</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 6lka" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | |
| - | [[Category: | + | ==See Also== |
| - | [[Category: | + | *[[Proteinase 3D structures|Proteinase 3D structures]] |
| - | [[Category: | + | *[[Virus protease 3D structures|Virus protease 3D structures]] |
| - | [[Category: | + | == References == |
| - | [[Category: | + | <references/> |
| - | [[Category: Li | + | __TOC__ |
| - | [[Category: | + | </StructureSection> |
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: | + | [[Category: Chen SH]] |
| - | [[Category: Su | + | [[Category: Chen XS]] |
| - | [[Category: | + | [[Category: Gu ZX]] |
| - | [[Category: | + | [[Category: Hao F]] |
| + | [[Category: He HY]] | ||
| + | [[Category: Hu GP]] | ||
| + | [[Category: Hu J]] | ||
| + | [[Category: Li J]] | ||
| + | [[Category: Li P]] | ||
| + | [[Category: Li YL]] | ||
| + | [[Category: Lin FS]] | ||
| + | [[Category: Su ZM]] | ||
| + | [[Category: Wu SQ]] | ||
| + | [[Category: Xiao TYC]] | ||
Current revision
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
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