Crystal structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene) penem, in complex with Enterobacter cloacae 908R β-lactamase: Evidence for a stereoselective mechanism from docking studies

Catherine Michaux; Paulette Charlier; Jean Marie Frère; Johan Wouters

doi:10.1021/ja0426241

Crystal structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene) penem, in complex with Enterobacter cloacae 908R β-lactamase: Evidence for a stereoselective mechanism from docking studies

Catherine Michaux, Paulette Charlier, Jean Marie Frère, Johan Wouters

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, is an active-site-directed inactivator of bacterial β-lactamases. The crystal structure of Enterobacter cloacae 908R class C β-lactamase in complex with BRL 42715, docking, and energy minimization studies explain stereoselectivity of the binding of C6-(heterocyclic methylene)penems against class C β-lactamase.

langue originale	Anglais
Pages (de - à)	3262-3263
Nombre de pages	2
journal	Journal of the American Chemical Society
Volume	127
Numéro de publication	10
Les DOIs	https://doi.org/10.1021/ja0426241
Etat de la publication	Publié - 16 mars 2005

Accès au document

10.1021/ja0426241

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@article{99f320509fed4c6abdfae91c8e2ea4b6,

title = "Crystal structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene) penem, in complex with Enterobacter cloacae 908R β-lactamase: Evidence for a stereoselective mechanism from docking studies",

abstract = "BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, is an active-site-directed inactivator of bacterial β-lactamases. The crystal structure of Enterobacter cloacae 908R class C β-lactamase in complex with BRL 42715, docking, and energy minimization studies explain stereoselectivity of the binding of C6-(heterocyclic methylene)penems against class C β-lactamase.",

author = "Catherine Michaux and Paulette Charlier and Fr{\`e}re, {Jean Marie} and Johan Wouters",

year = "2005",

month = mar,

day = "16",

doi = "10.1021/ja0426241",

language = "English",

volume = "127",

pages = "3262--3263",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "10",

}

Crystal structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene) penem, in complex with Enterobacter cloacae 908R β-lactamase: Evidence for a stereoselective mechanism from docking studies. / Michaux, Catherine; Charlier, Paulette; Frère, Jean Marie et al.
Dans: Journal of the American Chemical Society, Vol 127, Numéro 10, 16.03.2005, p. 3262-3263.

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

TY - JOUR

T1 - Crystal structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene) penem, in complex with Enterobacter cloacae 908R β-lactamase

T2 - Evidence for a stereoselective mechanism from docking studies

AU - Michaux, Catherine

AU - Charlier, Paulette

AU - Frère, Jean Marie

AU - Wouters, Johan

PY - 2005/3/16

Y1 - 2005/3/16

N2 - BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, is an active-site-directed inactivator of bacterial β-lactamases. The crystal structure of Enterobacter cloacae 908R class C β-lactamase in complex with BRL 42715, docking, and energy minimization studies explain stereoselectivity of the binding of C6-(heterocyclic methylene)penems against class C β-lactamase.

AB - BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, is an active-site-directed inactivator of bacterial β-lactamases. The crystal structure of Enterobacter cloacae 908R class C β-lactamase in complex with BRL 42715, docking, and energy minimization studies explain stereoselectivity of the binding of C6-(heterocyclic methylene)penems against class C β-lactamase.

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U2 - 10.1021/ja0426241

DO - 10.1021/ja0426241

M3 - Article

C2 - 15755127

AN - SCOPUS:14944358169

SN - 0002-7863

VL - 127

SP - 3262

EP - 3263

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 10

ER -