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==Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)==
==Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)==
<StructureSection load='5w3i' size='340' side='right' caption='[[5w3i]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
<StructureSection load='5w3i' size='340' side='right'caption='[[5w3i]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5w3i]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W3I OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W3I FirstGlance]. <br>
<table><tr><td colspan='2'>[[5w3i]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Influenza_A_virus_(A/California/04/2009(H1N1)) Influenza A virus (A/California/04/2009(H1N1))]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W3I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5W3I FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GY5:5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide'>GY5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
<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=5w3i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w3i OCA], [http://pdbe.org/5w3i PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w3i RCSB], [http://www.ebi.ac.uk/pdbsum/5w3i PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w3i ProSAT]</span></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GY5:5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide'>GY5</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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=5w3i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w3i OCA], [https://pdbe.org/5w3i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5w3i RCSB], [https://www.ebi.ac.uk/pdbsum/5w3i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5w3i ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/C3W5S0_I09A0 C3W5S0_I09A0]
Influenza is a serious hazard to human health that causes hundreds of thousands of deaths annually. Though vaccines and current therapeutics can blunt some of the perilous impact of this viral infection, new treatments are needed due to the constantly evolving nature of this virus. Recently, our growing understanding of an essential influenza viral protein, PA, has led to the development of focused libraries of new small molecules that specifically target the active site of the PA influenza endonuclease, which we report here. Our overarching approach has been to proactively develop lead inhibitors that are less likely to rapidly develop clinical resistance by optimizing inhibitors that retain activity against induced resistant mutants. Here, we report details behind the discovery of new potent inhibitors of wild type and resistant mutant endonucleases along with their high-resolution co-crystal structure-activity relationships. These results add to our understanding of nuclease protein targets and potentially serve as starting points for a new therapeutic approach to the treatment of influenza.


Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.,Beylkin D, Kumar G, Zhou W, Park J, Jeevan T, Lagisetti C, Harfoot R, Webby RJ, White SW, Webb TR Sci Rep. 2017 Dec 7;7(1):17139. doi: 10.1038/s41598-017-17419-6. PMID:29215062<ref>PMID:29215062</ref>
==See Also==
 
*[[RNA polymerase 3D structures|RNA polymerase 3D structures]]
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5w3i" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Kumar, G]]
[[Category: Large Structures]]
[[Category: White, S W]]
[[Category: Kumar G]]
[[Category: Cap-snatching]]
[[Category: White SW]]
[[Category: Hydrolase]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Nuclease]]
[[Category: Transcription]]
[[Category: Virus]]

Latest revision as of 17:13, 13 March 2024

Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685)

Structural highlights

5w3i is a 1 chain structure with sequence from Influenza A virus (A/California/04/2009(H1N1)). Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.95Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

C3W5S0_I09A0

See Also

5w3i, resolution 1.95Å

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