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GENERAL
TITLE
PEPTIDOMIMETIC NITRILE WARHEADS AS SARS-COV-2 3CL PROTEASE INHIBITORS
DATE LAST MODIFIED
8 Dec 2021
RELEASE
1 Sept 2021
OBSOLETE
CLASSIFICATION
VIRAL PROTEIN
EXPERIMENT TYPE
X-RAY DIFFRACTION
SPACE GROUP
P 1 21 1
RESOLUTION RANGE HIGH
1.95
RESOLUTION RANGE LOW
34.34
PUBMED ID
DOI
10.1039/D1MD00247C
LIGANDS

Chains

Structure ChainTarget ProteinGeneExpression SystemOrganismSynonimsActions
P0DTD1 REP, 1A-1B ESCHERICHIA COLI O103:H2 2019-NCOV, SARS-COV-2
3CL-PRO,3CLP,MAIN PROTEASE,MPRO,NON-STRUCTURAL PRO ...
Mutations
P0DTD1 REP, 1A-1B ESCHERICHIA COLI O103:H2 2019-NCOV, SARS-COV-2
3CL-PRO,3CLP,MAIN PROTEASE,MPRO,NON-STRUCTURAL PRO ...
Mutations
NGL Viewer is used for the molecular visualization.
  • AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. NGL viewer: web-based molecular graphics for large complexes. Bioinformatics: bty419, 2018. doi:10.1093/bioinformatics/bty419
  • AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402