View source for 4tyd


==Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease==
<StructureSection load='4tyd' size='340' side='right'caption='[[4tyd]], [[Resolution|resolution]] 2.84&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_1) Hepatitis C virus (isolate 1)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TYD 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]] 2.84&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [https://pdbe.org/4tyd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [https://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q0ZNA6_9HEPC Q0ZNA6_9HEPC] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Structural homology between thrombin inhibitors and the early tetrapeptide HCV protease inhibitor led to the bioisosteric replacement of the P2 proline by a 2,4-disubstituted azetidine within the macrocyclic beta-strand mimic. Molecular modeling guided the design of the series. This approach was validated by the excellent activity and selectivity in biochemical and cell based assays of this novel series and confirmed by the co-crystal structure of the inhibitor with the NS3/4A protein (PDB code: 4TYD).

Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.,Parsy C, Alexandre FR, Brandt G, Caillet C, Cappelle S, Chaves D, Convard T, Derock M, Gloux D, Griffon Y, Lallos L, Leroy F, Liuzzi M, Loi AG, Moulat L, Musiu C, Rahali H, Roques V, Seifer M, Standring D, Surleraux D Bioorg Med Chem Lett. 2014 Aug 9. pii: S0960-894X(14)00833-6. doi:, 10.1016/j.bmcl.2014.08.002. PMID:25155387<ref>PMID:25155387</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4tyd" style="background-color:#fffaf0;"></div>

==See Also==
*[[Virus protease 3D structures|Virus protease 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Parsy C]]