Literature summary for 3.4.22.B80 extracted from

Osipiuk, J.; Azizi, S.A.; Dvorkin, S.; Endres, M.; Jedrzejczak, R.; Jones, K.A.; Kang, S.; Kathayat, R.S.; Kim, Y.; Lisnyak, V.G.; Maki, S.L.; Nicolaescu, V.; Taylor, C.A.; Tesar, C.; Zhang, Y.A.; Zhou, Z.; Randall, G.; Michalska, K.; Snyder, S.A.; Dickinson, B.C.; Joachimiak, A.
Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors (2021), Nat. Commun., 12, 743 .

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Cloned(Commentary)

Cloned (Comment)	Organism
expression in Escherichia coli	Severe acute respiratory syndrome coronavirus 2

Crystallization (Commentary)

Crystallization (Comment)	Organism
sitting-drop and hanging drop vapor-diffusion methods, seven crystal structures are reported, including the high-resolution structure of wild-type PLpro, the active site cysteine mutant, and their complexes with inhibitors of SARS-CoV-2 PLpro, determined at 1.60-2.50 A	Severe acute respiratory syndrome coronavirus 2

Protein Variants

Protein Variants	Comment	Organism
C111S	active site mutant	Severe acute respiratory syndrome coronavirus 2

Inhibitors

Inhibitors	Comment	Organism	Structure
3-amino-N-(naphthalene-1-yl)-5-(trifluoromethyl)benzamide	-	Severe acute respiratory syndrome coronavirus 2
5-(((4-nitrophenoxy)carbonyl)amino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	-	Severe acute respiratory syndrome coronavirus 2
5-(butylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	-	Severe acute respiratory syndrome coronavirus 2
5-acrylamide-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	-	Severe acute respiratory syndrome coronavirus 2
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	-	Severe acute respiratory syndrome coronavirus 2
5-carbamylurea-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	-	Severe acute respiratory syndrome coronavirus 2
5-pentanoylamino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	-	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
Severe acute respiratory syndrome coronavirus 2	P0DTD1	SARS-CoV-2	-

Purification (Commentary)

Purification (Comment)	Organism
-	Severe acute respiratory syndrome coronavirus 2

Synonyms

Synonyms	Comment	Organism
PLpro	-	Severe acute respiratory syndrome coronavirus 2

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0023	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
0.0051	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	5-carbamylurea-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
0.007	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	5-(((4-nitrophenoxy)carbonyl)amino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
0.0127	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	5-pentanoylamino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
0.0168	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	5-(butylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
0.043	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	3-amino-N-(naphthalene-1-yl)-5-(trifluoromethyl)benzamide
0.064	-	pH 7.3, 25°C	Severe acute respiratory syndrome coronavirus 2	5-acrylamide-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

General Information

General Information	Comment	Organism
metabolism	the enzyme (PLpro) is an attractive drug target because it plays an essential role in cleavage and maturation of viral polyproteins, assembly of the replicase-transcriptase complex, and disruption of host responses	Severe acute respiratory syndrome coronavirus 2
physiological function	the enzyme plays an essential role in cleavage and maturation of viral polyproteins, assembly of the replicase-transcriptase complex, and disruption of host responses	Severe acute respiratory syndrome coronavirus 2

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Release 2023.1 (January 2023)