Lista de obras - M J Sutcliffe - Dominio Público Uruguay

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine as a Substrate of Cytochrome P450 2D6: Allosteric Effects of NADPH−Cytochrome P450 Reductase†

article

1H-NMR Assignments and Secondary Structure of Dendroaspin, an RGD-Containing Glycoprotein IIb-IIIa (alphaIIb-beta3) Antagonist with a Neurotoxin Fold

artículo científico publicado en 1994

A Single Mutation in Cytochrome P450 BM3 Changes Substrate Orientation in a Catalytic Intermediate and the Regiospecificity of Hydroxylation†

article

Activation gating of hERG potassium channels: S6 glycines are not required as gating hinges.

artículo científico publicado en 2007

Amino acid 305 determines catalytic center accessibility in CYP3A4.

artículo científico publicado en 2000

An exposed tyrosine on the surface of trimethylamine dehydrogenase facilitates electron transfer to electron transferring flavoprotein: kinetics of transfer in wild-type and mutant complexes

artículo científico publicado en 1997

Analysis of Classical and Quantum Paths for Deprotonation of Methylamine by Methylamine Dehydrogenase

artículo científico publicado en 2007

Are Environmentally Coupled Enzymatic Hydrogen Tunneling Reactions Influenced by Changes in Solution Viscosity?

scientific article published on 01 January 2008

Atomic description of an enzyme reaction dominated by proton tunneling

artículo científico publicado en 2006

Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

artículo científico publicado en 2008

Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis.

artículo científico publicado en 2010

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

artículo científico publicado en 2009

CA224, a non-planar analogue of fascaplysin, inhibits Cdk4 but not Cdk2 and arrests cells at G0/G1 inhibiting pRB phosphorylation

scientific article published on 05 June 2006

Calculating chemically accurate redox potentials for engineered flavoproteins from classical molecular dynamics free energy simulations.

artículo científico publicado en 2008

Characterization of inhibitors and substrates of Anopheles gambiae CYP6Z2.

artículo científico publicado en 2008

Computational studies of enzyme mechanism: linking theory with experiment in the analysis of enzymic H-tunnelling.

artículo científico publicado en 2006

Crystal structure of a PDZ domain

artículo científico publicado en 1996

Cysteine mutagenesis and homology modeling of the ligand-binding site of a kainate-binding protein

artículo científico publicado en 1999

Cysteine substitution mutagenesis and the effects of methanethiosulfonate reagents at P2X2 and P2X4 receptors support a core common mode of ATP action at P2X receptors.

artículo científico publicado en 2008

Design, synthesis and biological activity of new CDK4-specific inhibitors, based on fascaplysin.

artículo científico publicado en 2006

Differential coupling through Val-344 and Tyr-442 of trimethylamine dehydrogenase in electron transfer reactions with ferricenium ions and electron transferring flavoprotein

scientific article published on 01 August 2000

Driving force analysis of proton tunnelling across a reactivity series for an enzyme-substrate complex.

artículo científico publicado en 2008

Drug block of the hERG potassium channel: insight from modeling.

artículo científico publicado en 2007

Electron transfer and conformational change in complexes of trimethylamine dehydrogenase and electron transferring flavoprotein.

artículo científico publicado en 2001

Engineering the active site of ascorbate peroxidase

artículo científico publicado en 2001

Engineering the active site of ascorbate peroxidase.

artículo científico publicado en 2001

Extensive domain motion and electron transfer in the human electron transferring flavoprotein.medium chain Acyl-CoA dehydrogenase complex.

artículo científico publicado en 2004

Flavoenzyme catalysed oxidation of amines: roles for flavin and protein-based radicals.

artículo científico publicado en 2005

H-tunneling in the multiple H-transfers of the catalytic cycle of morphinone reductase and in the reductive half-reaction of the homologous pentaerythritol tetranitrate reductase.

artículo científico publicado en 2003

How do azoles inhibit cytochrome P450 enzymes? A density functional study.

artículo científico publicado en 2008

How does pressure affect barrier compression and isotope effects in an enzymatic hydrogen tunneling reaction?

artículo científico publicado en 2011

Hydrogen tunneling in quinoproteins.

artículo científico publicado en 2004

Hydrogen tunnelling in enzyme-catalysed H-transfer reactions: flavoprotein and quinoprotein systems.

artículo científico publicado en 2006

Identification of the binding surface on Cdc42Hs for p21-activated kinase

scientific article published on 01 October 1998

Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6.

artículo científico publicado en 2002

In silico and in vitro screening for inhibition of cytochrome P450 CYP3A4 by comedications commonly used by patients with cancer.

artículo científico publicado en 2006

In-silico characterization of the effects of phosphorylated tyrosines 86 and 106 on structure and binding of MAL: insight into hyperinflammatory response to infection by the human malaria parasites.

artículo científico publicado en 2010

Inhibition of CYP1A1 by Quassinoids found in Picrasma excelsa.

artículo científico publicado en 2008

Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.

artículo científico publicado en 2008

Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions.

artículo científico publicado en 2007

Insights into drug metabolism from modelling studies of cytochrome P450-drug interactions.

artículo científico publicado en 2006

Introduction. Quantum catalysis in enzymes: beyond the transition state theory paradigm

artículo científico publicado en 2006

Kinetic isotope effects and ligand binding in PQQ-dependent methanol dehydrogenase.

artículo científico publicado en 2005

Kinetic studies of the mechanism of carbon-hydrogen bond breakage by the heterotetrameric sarcosine oxidase of Arthrobacter sp. 1-IN

artículo científico publicado en 2000

Large-Scale Domain Conformational Change Is Coupled to the Activation of the Co–C Bond in the B12-Dependent Enzyme Ornithine 4,5-Aminomutase: A Computational Study

scientific article published on 19 January 2012

Molecular anatomy: phyletic relationships derived from three-dimensional structures of proteins

scientific article published on 01 January 1990

Molecular mechanisms for drug interactions with hERG that cause long QT syndrome.

artículo científico publicado en 2006

Molecular modeling of ligand-gated ion channels

artículo científico publicado en 1998

Multiple substrate binding by cytochrome P450 3A4: estimation of the number of bound substrate molecules.

artículo científico publicado en 2008

New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study.

artículo científico publicado en 2010

New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates

artículo científico publicado en 2007

Optimizing the Michaelis complex of trimethylamine dehydrogenase: identification of interactions that perturb the ionization of substrate and facilitate catalysis with trimethylamine base.

artículo científico publicado en 2001

Phe120 contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite.

artículo científico publicado en 2004

Pressure Effects on Enzyme-Catalyzed Quantum Tunneling Events Arise from Protein-Specific Structural and Dynamic Changes

artículo científico publicado en 2012

Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction

artículo científico publicado en 2010

Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects

artículo científico publicado en 2007

Protein dynamics enhance electronic coupling in electron transfer complexes.

artículo científico publicado en 2001

Protein-protein interactions.

artículo científico publicado en 2010

QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase

scientific article published on 01 September 2001

Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′-Phosphate in Ornithine 4,5-Aminomutase

scientific article published on 22 July 2014

Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6.

artículo científico publicado en 2002

Role of active site residues and solvent in proton transfer and the modulation of flavin reduction potential in bacterial morphinone reductase.

artículo científico publicado en 2005

Role of conserved Asp293 of cytochrome P450 2C9 in substrate recognition and catalytic activity.

artículo científico publicado en 2003

Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase.

artículo científico publicado en 2008

Spermine Is Fit to Block Inward Rectifier (Kir) Channels ⬇️

artículo científico publicado el 1 de noviembre de 2003

Structure of the complex of Cdc42Hs with a peptide derived from P-21 activated kinase

artículo científico publicado en 2000

TRAIL receptor-selective mutants signal to apoptosis via TRAIL-R1 in primary lymphoid malignancies

artículo científico publicado en 2005

Temperature-dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9-Tim10 complex.

artículo científico publicado en 2011

The catalytic mechanism of cytochrome P450 BM3 involves a 6 Å movement of the bound substrate on reduction

article

The enzyme aromatic amine dehydrogenase induces a substrate conformation crucial for promoting vibration that significantly reduces the effective potential energy barrier to proton transfer.

artículo científico publicado en 2008

The possible role of a disulphide bond in forming functional Kir2.1 potassium channels

scientific article published on 01 November 1999

The preponderance of P450s in the Mycobacterium tuberculosis genome.

artículo científico publicado en 2006

The response of the tandem pore potassium channel TASK-3 (K(2P)9.1) to voltage: gating at the cytoplasmic mouth.

artículo científico publicado en 2009

The role of Tyr-169 of trimethylamine dehydrogenase in substrate oxidation and magnetic interaction between FMN cofactor and the 4Fe/4S center

artículo científico publicado en 1999

The selectivity, voltage-dependence and acid sensitivity of the tandem pore potassium channel TASK-1: contributions of the pore domains.

artículo científico publicado en 2007

Thermodynamic and biophysical characterization of cytochrome P450 BioI from Bacillus subtilis.

artículo científico publicado en 2004

Topology of the pore region of an inward rectifier K+ channel, Kir2.1.

artículo científico publicado en 1999

Validation of Model of Cytochrome P450 2D6: An in Silico Tool for Predicting Metabolism and Inhibition

article

Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active-site residues in quinidine binding.

artículo científico publicado en 2005

X-ray scattering studies of Methylophilus methylotrophus (sp. W3A1) electron-transferring flavoprotein. Evidence for multiple conformational states and an induced fit mechanism for assembly with trimethylamine dehydrogenase

artículo científico publicado en 2000

α-Secondary Isotope Effects as Probes of “Tunneling-Ready” Configurations in Enzymatic H-Tunneling: Insight from Environmentally Coupled Tunneling Models

article

Lista de obras de M J Sutcliffe

1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine as a Substrate of Cytochrome P450 2D6: Allosteric Effects of NADPH−Cytochrome P450 Reductase†

1H-NMR Assignments and Secondary Structure of Dendroaspin, an RGD-Containing Glycoprotein IIb-IIIa (alphaIIb-beta3) Antagonist with a Neurotoxin Fold

A Single Mutation in Cytochrome P450 BM3 Changes Substrate Orientation in a Catalytic Intermediate and the Regiospecificity of Hydroxylation†

Activation gating of hERG potassium channels: S6 glycines are not required as gating hinges.

Amino acid 305 determines catalytic center accessibility in CYP3A4.

An exposed tyrosine on the surface of trimethylamine dehydrogenase facilitates electron transfer to electron transferring flavoprotein: kinetics of transfer in wild-type and mutant complexes

Analysis of Classical and Quantum Paths for Deprotonation of Methylamine by Methylamine Dehydrogenase

Are Environmentally Coupled Enzymatic Hydrogen Tunneling Reactions Influenced by Changes in Solution Viscosity?

Atomic description of an enzyme reaction dominated by proton tunneling

Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

Barrier compression and its contribution to both classical and quantum mechanical aspects of enzyme catalysis.

Barrier compression enhances an enzymatic hydrogen-transfer reaction.

CA224, a non-planar analogue of fascaplysin, inhibits Cdk4 but not Cdk2 and arrests cells at G0/G1 inhibiting pRB phosphorylation

Calculating chemically accurate redox potentials for engineered flavoproteins from classical molecular dynamics free energy simulations.

Characterization of inhibitors and substrates of Anopheles gambiae CYP6Z2.

Computational studies of enzyme mechanism: linking theory with experiment in the analysis of enzymic H-tunnelling.

Crystal structure of a PDZ domain

Cysteine mutagenesis and homology modeling of the ligand-binding site of a kainate-binding protein

Cysteine substitution mutagenesis and the effects of methanethiosulfonate reagents at P2X2 and P2X4 receptors support a core common mode of ATP action at P2X receptors.

Design, synthesis and biological activity of new CDK4-specific inhibitors, based on fascaplysin.

Differential coupling through Val-344 and Tyr-442 of trimethylamine dehydrogenase in electron transfer reactions with ferricenium ions and electron transferring flavoprotein

Driving force analysis of proton tunnelling across a reactivity series for an enzyme-substrate complex.

Drug block of the hERG potassium channel: insight from modeling.

Electron transfer and conformational change in complexes of trimethylamine dehydrogenase and electron transferring flavoprotein.

Engineering the active site of ascorbate peroxidase

Engineering the active site of ascorbate peroxidase.

Extensive domain motion and electron transfer in the human electron transferring flavoprotein.medium chain Acyl-CoA dehydrogenase complex.

Flavoenzyme catalysed oxidation of amines: roles for flavin and protein-based radicals.

H-tunneling in the multiple H-transfers of the catalytic cycle of morphinone reductase and in the reductive half-reaction of the homologous pentaerythritol tetranitrate reductase.

How do azoles inhibit cytochrome P450 enzymes? A density functional study.

How does pressure affect barrier compression and isotope effects in an enzymatic hydrogen tunneling reaction?

Hydrogen tunneling in quinoproteins.

Hydrogen tunnelling in enzyme-catalysed H-transfer reactions: flavoprotein and quinoprotein systems.

Identification of the binding surface on Cdc42Hs for p21-activated kinase

Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6.

In silico and in vitro screening for inhibition of cytochrome P450 CYP3A4 by comedications commonly used by patients with cancer.

In-silico characterization of the effects of phosphorylated tyrosines 86 and 106 on structure and binding of MAL: insight into hyperinflammatory response to infection by the human malaria parasites.

Inhibition of CYP1A1 by Quassinoids found in Picrasma excelsa.

Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.

Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions.

Insights into drug metabolism from modelling studies of cytochrome P450-drug interactions.

Introduction. Quantum catalysis in enzymes: beyond the transition state theory paradigm

Kinetic isotope effects and ligand binding in PQQ-dependent methanol dehydrogenase.

Kinetic studies of the mechanism of carbon-hydrogen bond breakage by the heterotetrameric sarcosine oxidase of Arthrobacter sp. 1-IN

Large-Scale Domain Conformational Change Is Coupled to the Activation of the Co–C Bond in the B12-Dependent Enzyme Ornithine 4,5-Aminomutase: A Computational Study

Molecular anatomy: phyletic relationships derived from three-dimensional structures of proteins

Molecular mechanisms for drug interactions with hERG that cause long QT syndrome.

Molecular modeling of ligand-gated ion channels

Multiple substrate binding by cytochrome P450 3A4: estimation of the number of bound substrate molecules.

New insights into the multi-step reaction pathway of the reductive half-reaction catalysed by aromatic amine dehydrogenase: a QM/MM study.

New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates

Optimizing the Michaelis complex of trimethylamine dehydrogenase: identification of interactions that perturb the ionization of substrate and facilitate catalysis with trimethylamine base.

Phe120 contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite.

Pressure Effects on Enzyme-Catalyzed Quantum Tunneling Events Arise from Protein-Specific Structural and Dynamic Changes

Probing active site geometry using high pressure and secondary isotope effects in an enzyme-catalysed 'deep' H-tunnelling reaction

Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects

Protein dynamics enhance electronic coupling in electron transfer complexes.

Protein-protein interactions.

QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase

Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′-Phosphate in Ornithine 4,5-Aminomutase

Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6.

Role of active site residues and solvent in proton transfer and the modulation of flavin reduction potential in bacterial morphinone reductase.

Role of conserved Asp293 of cytochrome P450 2C9 in substrate recognition and catalytic activity.

Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase.

Spermine Is Fit to Block Inward Rectifier (Kir) Channels ⬇️

Structure of the complex of Cdc42Hs with a peptide derived from P-21 activated kinase

TRAIL receptor-selective mutants signal to apoptosis via TRAIL-R1 in primary lymphoid malignancies

Temperature-dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9-Tim10 complex.

The catalytic mechanism of cytochrome P450 BM3 involves a 6 Å movement of the bound substrate on reduction

The enzyme aromatic amine dehydrogenase induces a substrate conformation crucial for promoting vibration that significantly reduces the effective potential energy barrier to proton transfer.

The possible role of a disulphide bond in forming functional Kir2.1 potassium channels

The preponderance of P450s in the Mycobacterium tuberculosis genome.

The response of the tandem pore potassium channel TASK-3 (K(2P)9.1) to voltage: gating at the cytoplasmic mouth.

The role of Tyr-169 of trimethylamine dehydrogenase in substrate oxidation and magnetic interaction between FMN cofactor and the 4Fe/4S center

The selectivity, voltage-dependence and acid sensitivity of the tandem pore potassium channel TASK-1: contributions of the pore domains.

Thermodynamic and biophysical characterization of cytochrome P450 BioI from Bacillus subtilis.

Topology of the pore region of an inward rectifier K+ channel, Kir2.1.

Validation of Model of Cytochrome P450 2D6: An in Silico Tool for Predicting Metabolism and Inhibition

Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active-site residues in quinidine binding.