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6y2f
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)== | |
| - | + | <StructureSection load='6y2f' size='340' side='right'caption='[[6y2f]], [[Resolution|resolution]] 1.95Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[6y2f]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Y2F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6Y2F FirstGlance]. <br> | |
| - | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=O6K:~{tert}-butyl+~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate'>O6K</scene></td></tr> | |
| - | [[Category: | + | <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=6y2f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6y2f OCA], [http://pdbe.org/6y2f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6y2f RCSB], [http://www.ebi.ac.uk/pdbsum/6y2f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6y2f ProSAT]</span></td></tr> |
| + | </table> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Hilgenfeld, R]] | ||
[[Category: Lin, D]] | [[Category: Lin, D]] | ||
| - | [[Category: | + | [[Category: Sun, X]] |
[[Category: Zhang, L]] | [[Category: Zhang, L]] | ||
| - | [[Category: | + | [[Category: Alpha-ketoamide]] |
| + | [[Category: Antiviral]] | ||
| + | [[Category: Drug design]] | ||
| + | [[Category: Novel coronavirus]] | ||
| + | [[Category: Viral protein]] | ||
Revision as of 06:59, 4 March 2020
Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
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