4yd0

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'''Unreleased structure'''
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==Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor==
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<StructureSection load='4yd0' size='340' side='right' caption='[[4yd0]], [[Resolution|resolution]] 2.62&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4yd0]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YD0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YD0 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=4EW:2-(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-5-FLUORO-N-[(1R,2S,3S,4R)-3-(1H-TETRAZOL-5-YL)BICYCLO[2.2.2]OCT-2-YL]PYRIMIDIN-4-AMINE'>4EW</scene></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=4yd0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yd0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4yd0 RCSB], [http://www.ebi.ac.uk/pdbsum/4yd0 PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/PB2_I75A0 PB2_I75A0]] Plays an essential role in transcription initiation and cap-stealing mechanism, in which cellular capped pre-mRNAs are used to generate primers for viral transcription. Binds the cap of the target pre-RNA which is subsequently cleaved after 10-13 nucleotides by PA. Plays a role in the initiation of the viral genome replication and modulates the activity of the ribonucleoprotein (RNP) complex. In addition, participates in the inhibition of type I interferon induction through interaction with the host mitochondrial antiviral signaling protein MAVS.[UniProtKB:P03428]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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VX-787 is a first in class, orally bioavailable compound that offers unparalleled potential for the treatment of pandemic and seasonal influenza. As a part of our routine SAR exploration, carboxylic acid isosteres of VX-787 were prepared and tested against influenza A. It was found that the negative charge is important for maintaining potency and selectivity relative to kinase targets. Neutral carboxylic acid replacements generally resulted in compounds that were significantly less potent and less selective relative to the charged species.
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The entry 4yd0 is ON HOLD
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Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.,Boyd MJ, Bandarage UK, Bennett H, Byrn RR, Davies I, Gu W, Jacobs M, Ledeboer MW, Ledford B, Leeman JR, Perola E, Wang T, Bennani Y, Clark MP, Charifson PS Bioorg Med Chem Lett. 2015 Mar 14. pii: S0960-894X(15)00209-7. doi:, 10.1016/j.bmcl.2015.03.013. PMID:25827523<ref>PMID:25827523</ref>
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Authors: Jacobs, M.D.
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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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Description: Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
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== References ==
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[[Category: Unreleased Structures]]
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<references/>
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[[Category: Jacobs, M.D]]
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__TOC__
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</StructureSection>
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[[Category: Jacobs, M D]]
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[[Category: Flu]]
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[[Category: Inhibitor]]
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[[Category: M7-gtp pocket]]
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[[Category: Small-molecule drug]]

Revision as of 12:45, 15 April 2015

Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor

4yd0, resolution 2.62Å

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OCA

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