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10.1126/sciadv.abd4596

http://scihub22266oqcxt.onion/10.1126/sciadv.abd4596
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33067239!7567588!33067239
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suck abstract from ncbi

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  • Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design #MMPMID33067239
  • Rut W; Lv Z; Zmudzinski M; Patchett S; Nayak D; Snipas SJ; El Oualid F; Huang TT; Bekes M; Drag M; Olsen SK
  • Sci Adv 2020[Oct]; 6 (42): ä PMID33067239show ga
  • Viral papain-like cysteine protease (PLpro, NSP3) is essential for SARS-CoV-2 replication and represents a promising target for the development of antiviral drugs. Here, we used a combinatorial substrate library and performed comprehensive activity profiling of SARS-CoV-2 PLpro. On the scaffold of the best hits from positional scanning, we designed optimal fluorogenic substrates and irreversible inhibitors with a high degree of selectivity for SARS PLpro. We determined crystal structures of two of these inhibitors in complex with SARS-CoV-2 PLpro that reveals their inhibitory mechanisms and provides a molecular basis for the observed substrate specificity profiles. Last, we demonstrate that SARS-CoV-2 PLpro harbors deISGylating activity similar to SARSCoV-1 PLpro but its ability to hydrolyze K48-linked Ub chains is diminished, which our sequence and structure analysis provides a basis for. Together, this work has revealed the molecular rules governing PLpro substrate specificity and provides a framework for development of inhibitors with potential therapeutic value or drug repurposing.
  • |*Drug Design[MESH]
  • |Amino Acid Sequence[MESH]
  • |Betacoronavirus/*enzymology/isolation & purification[MESH]
  • |Binding Sites[MESH]
  • |COVID-19[MESH]
  • |Catalytic Domain[MESH]
  • |Coronavirus 3C Proteases[MESH]
  • |Coronavirus Infections/pathology/virology[MESH]
  • |Crystallography, X-Ray[MESH]
  • |Cysteine Endopeptidases/genetics/metabolism[MESH]
  • |Humans[MESH]
  • |Kinetics[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |Oligopeptides/chemistry/metabolism[MESH]
  • |Pandemics[MESH]
  • |Pneumonia, Viral/pathology/virology[MESH]
  • |Protease Inhibitors/*chemistry/metabolism[MESH]
  • |Recombinant Proteins/biosynthesis/chemistry/isolation & purification[MESH]
  • |SARS-CoV-2[MESH]
  • |Substrate Specificity[MESH]
  • |Ubiquitins/metabolism[MESH]
  • |Viral Nonstructural Proteins/*antagonists & inhibitors/genetics/metabolism[MESH]


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  • suck abstract from ncbi

    ä 42.6 2020