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4cb5

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<StructureSection load='4cb5' size='340' side='right'caption='[[4cb5]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
<StructureSection load='4cb5' size='340' side='right'caption='[[4cb5]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4cb5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus_(a/duck/shantou/4610/2003(h5n1)) Influenza a virus (a/duck/shantou/4610/2003(h5n1))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CB5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4CB5 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4cb5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_A_virus_(A/duck/Shantou/4610/2003(H5N1)) Influenza A virus (A/duck/Shantou/4610/2003(H5N1))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CB5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4CB5 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=93G:9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE'>93G</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=93G:9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE'>93G</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4cb4|4cb4]]</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4cb5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cb5 OCA], [https://pdbe.org/4cb5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4cb5 RCSB], [https://www.ebi.ac.uk/pdbsum/4cb5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4cb5 ProSAT]</span></td></tr>
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<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=4cb5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cb5 OCA], [http://pdbe.org/4cb5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4cb5 RCSB], [http://www.ebi.ac.uk/pdbsum/4cb5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4cb5 ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[[https://www.uniprot.org/uniprot/Q2LG68_9INFA Q2LG68_9INFA]]
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The heterotrimeric influenza virus polymerase performs replication and transcription of viral RNA in the nucleus of infected cells. Transcription by 'cap-snatching' requires that host-cell pre-mRNAs are bound via their 5' cap to the PB2 subunit. Thus, the PB2 cap binding site is potentially a good target for new antiviral drugs that will directly inhibit viral replication. Docking studies using the structure of the PB2 cap binding domain suggested that 7-alkylguanine derivatives substituted at position N-9 and N-2 could be good candidates. Four series of 7,9-di- and 2,7,9-tri-alkyl guanine derivatives were synthesized and evaluated by an AlphaScreen assay in competition with a biotinylated cap analogue. Three synthesised compounds display potent in vitro activity with IC50 lower than 10 M. High-resolution X-ray structures of three inhibitors in complex with the H5N1 PB2 cap-binding domain confirmed the binding mode and provide detailed information for further compound optimization.
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New 7-methyl-guanosine derivatives targeting the influenza polymerase PB2 cap-binding domain.,Pautus S, Sehr P, Lewis J, Fortune A, Wolkerstorfer A, Szolar O, Guilligay D, Lunardi T, Decout JL, Cusack S J Med Chem. 2013 Oct 18. PMID:24134208<ref>PMID:24134208</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4cb5" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Cusack, S]]
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[[Category: Cusack S]]
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[[Category: Decout, J L]]
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[[Category: Decout JL]]
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[[Category: Fortune, A]]
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[[Category: Fortune A]]
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[[Category: Gulligay, D]]
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[[Category: Gulligay D]]
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[[Category: Lewis, J]]
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[[Category: Lewis J]]
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[[Category: Lunardi, T]]
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[[Category: Lunardi T]]
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[[Category: Pautus, S]]
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[[Category: Pautus S]]
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[[Category: Sehr, P]]
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[[Category: Sehr P]]
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[[Category: Szolar, O]]
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[[Category: Szolar O]]
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[[Category: Wolkerstorfer, A]]
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[[Category: Wolkerstorfer A]]
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[[Category: Cap-binding inhibitor]]
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[[Category: Transferase]]
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Revision as of 17:36, 7 September 2022

Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8f)

PDB ID 4cb5

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