About: A Structural View of the Inactivation of the SARS Coronavirus Main Proteinase by Benzotriazole Esters

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About: A Structural View of the Inactivation of the SARS Coronavirus Main Proteinase by Benzotriazole Esters Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	A Structural View of the Inactivation of the SARS Coronavirus Main Proteinase by Benzotriazole Esters
Creator	Chen, Shuai Hilgenfeld, Rolf Pumpor, Ksenia Mesters, Jeroen Anemü Ller, Stefan Verschueren, Koen
Source	Elsevier; Medline; PMC
abstract	The main proteinase (M(pro)) of the severe acute respiratory syndrome (SARS) coronavirus is a principal target for the design of anticoronaviral compounds. Benzotriazole esters have been reported as potent nonpeptidic inhibitors of the enzyme, but their exact mechanism of action remains unclear. Here we present crystal structures of SARS-CoV M(pro), the active-site cysteine of which has been acylated by benzotriazole esters that act as suicide inhibitors. In one of the structures, the thioester product has been hydrolyzed and benzoic acid is observed to bind to the hydrophobic S2 pocket. This structure also features the enzyme with a shortened N-terminal segment (“amputated N finger”). The results further the understanding of the important role of the N finger for catalysis as well as the design of benzotriazole inhibitors with improved specificity.
has issue date	2008-06-23(xsd:dateTime)
bibo:doi	10.1016/j.chembiol.2008.04.011
bibo:pmid	18559270
has license	no-cc
sha1sum (hex)	46988b889df2055b3f44ae61f6d34be9c8c6483c
schema:url	https://doi.org/10.1016/j.chembiol.2008.04.011
resource representing a document's title	A Structural View of the Inactivation of the SARS Coronavirus Main Proteinase by Benzotriazole Esters
has PubMed Central identifier	PMC7110992
has PubMed identifier	18559270
schema:publication	Chem Biol
resource representing a document's body	covid:46988b889df2055b3f44ae61f6d34be9c8c6483c#body_text
is schema:about of	named entity 'BENZOTRIAZOLE' named entity 'inhibitors' named entity 'mechanism' named entity 'remains' named entity 'compounds' named entity 'esters' named entity 'SARS-CoV' named entity 'finger' named entity 'shortened' named entity 'View' named entity 'Structural' named entity 'INACTIVATION' named entity 'STRUCTURAL' named entity 'HYDROPHOBIC' named entity 'TARGET' named entity 'RESULTS' named entity 'BENZOTRIAZOLE' named entity 'ONE OF' named entity 'IMPORTANT' named entity 'CATALYSIS' named entity 'FINGER' named entity 'CRYSTAL' named entity 'DESIGN' named entity 'ESTERS' named entity 'SEVERE ACUTE RESPIRATORY SYNDROME' named entity 'STRUCTURES' named entity 'VIEW' named entity 'CORONAVIRUS' named entity 'PROTEINASE' named entity 'MAIN' named entity 'SARS CORONAVIRUS' named entity 'HAVE' named entity 'ACT' named entity 'PRESENT' named entity 'THIOESTER' named entity 'ESTERS' named entity 'MAIN' named entity 'SHORTENED' named entity 'UNCLEAR' named entity 'PRO' named entity 'OBSERVED' named entity 'SPECIFICITY' named entity 'CYSTEINE' named entity 'PRODUCT' named entity 'MECHANISM OF ACTION' named entity 'ROLE' named entity 'IS A' named entity 'SARS-COV' named entity 'PRINCIPAL' named entity 'BUT' named entity 'PROTEINASE' named entity 'FEATURES' named entity 'INHIBITORS' named entity 'HERE' named entity 'IMPROVED' named entity 'EXACT' named entity 'N-TERMINAL ' named entity 'UNDERSTANDING' named entity 'TO BIND TO' named entity 'THEIR' named entity 'SUICIDE' named entity 'TERMINAL SEGMENT' named entity 'ENZYME' named entity 'REPORTED' named entity 'BENZOIC ACID' named entity 'STRUCTURE' named entity 'inhibitors' named entity 'pro' named entity 'hydrolyzed' named entity 'product' named entity 'action' named entity 'coronavirus' named entity 'structures' named entity 'thioester' named entity 'benzotriazole' named entity 'esters'

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