About: Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors

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About: Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors Goto Sponge NotDistinct Permalink

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

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors
Creator	Kuo, Chih-Jung Liang, Po-Huang Fang, Jim-Min Shie, Jiun-Jie Hsu, Min-Feng Lee, Cheng-Chung Wang, H.-J
topic	covid:eee43352144557c191f97e551562c9213a7cdc23#this
Source	Elsevier; Medline; PMC
abstract	Five active metal-conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600) bound with the 3C-like protease of severe acute respiratory syndrome (SARS)-associated coronavirus were analyzed crystallographically. The complex structures reveal two major inhibition modes: Hg(2+)-PMA is coordinated to C(44), M(49) and Y(54) with a square planar geometry at the S3 pocket, whereas each Zn(2+) of the four zinc-inhibitors is tetrahedrally coordinated to the H(41)–C(145) catalytic dyad. For anti-SARS drug design, this Zn(2+)-centered coordination pattern would serve as a starting platform for inhibitor optimization.
has issue date	2007-11-27(xsd:dateTime)
bibo:doi	10.1016/j.febslet.2007.10.048
bibo:pmid	17981158
has license	no-cc
sha1sum (hex)	eee43352144557c191f97e551562c9213a7cdc23
schema:url	https://doi.org/10.1016/j.febslet.2007.10.048
resource representing a document's title	Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors
has PubMed Central identifier	PMC7094272
has PubMed identifier	17981158
schema:publication	FEBS Lett
resource representing a document's body	covid:eee43352144557c191f97e551562c9213a7cdc23#body_text
is http://vocab.deri.ie/void#inDataset of	proxy:http/ns.inria.fr/covid19/eee43352144557c191f97e551562c9213a7cdc23
is schema:about of	named entity 'BASIS' named entity 'bound' named entity 'crystallographically' named entity 'MERCURY' named entity 'STRUCTURAL' named entity 'ZINC' named entity '3C-LIKE PROTEASE INHIBITORS' named entity 'TDT' named entity 'PLANAR' named entity 'ASSOCIATED' named entity 'STARTING' named entity 'SARS' named entity 'LIKE' named entity 'SERVE' named entity 'STRUCTURES' named entity 'MAJOR' named entity 'COORDINATION' named entity 'CONJUGATED' named entity 'SEVERE ACUTE RESPIRATORY SYNDROME' named entity 'ACTIVE' named entity 'INHIBITION' named entity 'OPTIMIZATION' named entity 'COMPLEXES' named entity 'SARS-COV' named entity 'INHIBITOR' named entity 'CONJUGATED' named entity 'ZINC' named entity 'DRUG DESIGN' named entity 'CENTERED' named entity 'DYAD' named entity '145' named entity 'METAL' named entity 'COORDINATED' named entity 'PMA' named entity 'INHIBITORS' named entity 'CATALYTIC' named entity 'GEOMETRY' named entity 'COMPLEX' named entity 'SQUARE' named entity 'PATTERN' named entity 'BOUND' named entity 'ANALYZED' named entity 'PROTEASE' named entity 'REVEAL' named entity 'PLATFORM' named entity 'CORONAVIRUS' named entity 'PMA' named entity 'platform' named entity 'tetrahedrally' named entity 'zinc' named entity 'square planar geometry' named entity 'drug design' named entity '3C-like protease' named entity 'mercury' named entity '3C-like protease' named entity 'coronavirus' named entity 'Five' named entity 'electron density' named entity 'PDB' named entity 'Behcet's disease' named entity 'oxygen atom' named entity 'SARS-CoV' named entity 'SARS-CoV' named entity 'K i' named entity 'zinc' named entity 'sulfur' named entity 'protein' named entity 'zinc' named entity 'DMSO' named entity 'zinc' named entity 'molecular replacement' named entity 'catalytic residues' named entity 'Arteriviridae'

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