6vkd: Difference between revisions
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==Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein== | ==Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein== | ||
<StructureSection load='6vkd' size='340' side='right'caption='[[6vkd]]' scene=''> | <StructureSection load='6vkd' size='340' side='right'caption='[[6vkd]], [[Resolution|resolution]] 2.50Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VKD OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VKD FirstGlance]. <br> | <table><tr><td colspan='2'>[[6vkd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Hrsva Hrsva]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VKD OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VKD FirstGlance]. <br> | ||
</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vkd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vkd OCA], [http://pdbe.org/6vkd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vkd RCSB], [http://www.ebi.ac.uk/pdbsum/6vkd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vkd ProSAT]</span></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=R0P:1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one'>R0P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vkd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vkd OCA], [http://pdbe.org/6vkd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vkd RCSB], [http://www.ebi.ac.uk/pdbsum/6vkd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vkd ProSAT]</span></td></tr> | |||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Respiratory syncytial virus (RSV) is a seasonal virus that infects the lungs and airways of 64 million children and adults every year. It is a major cause of acute lower respiratory tract infection and is associated with significant morbidity and mortality. Despite the large medical and economic burden, treatment options for RSV-associated bronchiolitis and pneumonia are limited and mainly consist of supportive care. This publication covers the medicinal chemistry efforts resulting in the identification of JNJ-53718678, an orally bioavailable RSV inhibitor which showed to be efficacious in a phase 2a challenge study in healthy adult subjects and which is currently being evaluated in hospitalized infants and adults. Co-crystal structures of several new derivatives helped rationalizing some of the structure activity relationship (SAR) trends observed. | |||
Discovery of 3 ({5 Chloro-1 [3 (methylsulfonyl)propyl]-1H indol-2 yl}methyl)-1 (2,2,2 trifluoroethyl)-1,3 dihydro-2H imidazo[4,5-c]pyridin-2 one (JNJ-53718678), a potent and orally bioavailable fusion inhibitor of respiratory syncytial virus.,Vendeville S, Tahri A, Hu L, Demin S, Cooymans L, Vos A, Kwanten L, Van den Berg J, Battles M, McLellan J, Koul A, Raboisson P, Roymans D, Jonckers THM J Med Chem. 2020 May 14. doi: 10.1021/acs.jmedchem.0c00226. PMID:32407115<ref>PMID:32407115</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 6vkd" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Hrsva]] | |||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: McLellan | [[Category: McLellan, J S]] | ||
[[Category: Complex]] | |||
[[Category: Inhibitor]] | |||
[[Category: Viral protein]] | |||
Revision as of 11:34, 26 August 2020
Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein
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