Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A beta-lactamase.
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Structure-based activity prediction for an enzyme of unknown functionOptical imaging of bacterial infectionsRecent advances in QM/MM free energy calculations using reference potentialsCrystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescensStructures of the Michaelis Complex (1.2 Å) and the Covalent Acyl Intermediate (2.0 Å) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis β-Lactamase K73A and E166A Mutants,Different intermediate populations formed by tazobactam, sulbactam, and clavulanate reacting with SHV-1 beta-lactamases: Raman crystallographic evidenceImaging tuberculosis with endogenous beta-lactamase reporter enzyme fluorescence in live mice.Role of E166 in the imine to enamine tautomerization of the clinical beta-lactamase inhibitor sulbactamQM/MM simulations as an assay for carbapenemase activity in class A β-lactamases.Rational design of a beta-lactamase inhibitor achieved via stabilization of the trans-enamine intermediate: 1.28 A crystal structure of wt SHV-1 complex with a penam sulfoneIrreversible inhibition of the Mycobacterium tuberculosis beta-lactamase by clavulanate.Molecular dynamics of class A β-lactamases-effects of substrate binding.Molecular dynamics and molecular docking studies on E166A point mutant, R274N/R276N double mutant, and E166A/R274N/R276N triple mutant forms of class A β-lactamases.QM/MM-Methoden für biomolekulare Systeme
P2860
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P2860
Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A beta-lactamase.
description
2005 nî lūn-bûn
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2005年の論文
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2005年学术文章
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name
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@en
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@nl
type
label
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@en
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@nl
prefLabel
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@en
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@nl
P2093
P2860
P356
P1476
Molecular mechanisms of antibi ...... n in a class A beta-lactamase.
@en
P2093
Adrian J Mulholland
Johannes C Hermann
Lars Ridder
P2860
P304
P356
10.1039/B512969A
P577
2005-12-09T00:00:00Z