Understanding the pKa of Redox Cysteines: The Key Role of Hydrogen Bonding

The thermodynamics of thiol sulfenylation

(2012) Lionel Billiet et al.   FREE RADICAL BIOLOGY AND MEDICINE

A fluorescent probe which allows highly specific thiol labeling at low pH

(2011) Jonas W. Nielsen et al.   ANALYTICAL BIOCHEMISTRY

Kinetic studies of peroxiredoxin 6 from Arenicola marina: Rapid oxidation by hydrogen peroxide and peroxynitrite but lack of reduction by hydrogen sulfide

(2011) Eléonore Loumaye et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Factors Affecting Protein Thiol Reactivity and Specificity in Peroxide Reduction

(2011) Gerardo Ferrer-Sueta et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Reactivity of Thioredoxin as a Protein Thiol-Disulfide Oxidoreductase

(2011) Zhiyong Cheng et al.   CHEMICAL REVIEWS

Interrelationship Between Cardiac Hypertrophy, Heart Failure, and Chronic Kidney Disease

(2011) Jeffrey G. Dickhout et al.   CIRCULATION RESEARCH

Mapping the cysteine proteome: analysis of redox-sensing thiols

(2011) Dean P Jones et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Protein sulfenic acid formation: From cellular damage to redox regulation

(2011) Goedele Roos et al.   FREE RADICAL BIOLOGY AND MEDICINE

Analysis and Functional Prediction of Reactive Cysteine Residues

(2011) Stefano M. Marino et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Corynebacterium glutamicum survives arsenic stress with arsenate reductases coupled to two distinct redox mechanisms

(2011) Almudena F. Villadangos et al.   MOLECULAR MICROBIOLOGY

Multiple pH Regime Molecular Dynamics Simulation for pK Calculations

(2011) Lennart Nilsson et al.   PLoS One

Progress in the prediction of pKa values in proteins

(2011) Emil Alexov et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Structure, Function, and Mechanism of Thioredoxin Proteins

(2010) Jean-Francois Collet et al.   ANTIOXIDANTS & REDOX SIGNALING

How Proteins Form Disulfide Bonds

(2010) Matthieu Depuydt et al.   ANTIOXIDANTS & REDOX SIGNALING

NmerA of Tn501Mercuric Ion Reductase: Structural Modulation of the pKaValues of the Metal Binding Cysteine Thiols,

(2010) Richard Ledwidge et al.   BIOCHEMISTRY

Cysteine Function Governs Its Conservation and Degeneration and Restricts Its Utilization on Protein Surfaces

(2010) Stefano M. Marino et al.   JOURNAL OF MOLECULAR BIOLOGY

Prediction of titration properties of structures of a protein derived from molecular dynamics trajectories

(2010) S.T. Wlodek et al.   PROTEIN SCIENCE

Zinc Fingers as Biologic Redox Switches?

(2009) Klaus-D. Kröncke et al.   ANTIOXIDANTS & REDOX SIGNALING

Protein Disulfide Isomerase: A Critical Evaluation of Its Function in Disulfide Bond Formation

(2009) Feras Hatahet et al.   ANTIOXIDANTS & REDOX SIGNALING

Thiol and Sulfenic Acid Oxidation of AhpE, the One-Cysteine Peroxiredoxin fromMycobacterium tuberculosis: Kinetics, Acidity Constants, and Conformational Dynamics

(2009) Martín Hugo et al.   BIOCHEMISTRY

Properties of the Thioredoxin Fold Superfamily Are Modulated by a Single Amino Acid Residue

(2009) Guoping Ren et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Predicting pKa

(2009) Adam C. Lee et al.   Journal of Chemical Information and Modeling

Modulation of an Active-Site Cysteine pKa Allows PDI to Act as a Catalyst of both Disulfide Bond Formation and Isomerization

(2009) Anna-Riikka Karala et al.   JOURNAL OF MOLECULAR BIOLOGY

Reproducing Basic pKaValues for Turkey Ovomucoid Third Domain Using a Polarizable Force Field

(2009) Timothy H. Click et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A residue outside the active site CXXC motif regulates the catalytic efficiency of Glutaredoxin 3

(2009) Talia Shekhter et al.   Molecular BioSystems

How Thioredoxin Dissociates Its Mixed Disulfide

(2009) Goedele Roos et al.   PLoS Computational Biology

Kinetic and Thermodynamic Aspects of Cellular Thiol–Disulfide Redox Regulation

(2008) Kristine Steen Jensen et al.   ANTIOXIDANTS & REDOX SIGNALING

Effects of substitutions in the CXXC active-site motif of the extracytoplasmic thioredoxin ResA

(2008) Allison Lewin et al.   BIOCHEMICAL JOURNAL

Cysteine pKaDepression by a Protonated Glutamic Acid in Human DJ-1†‡

(2008) Anna C. Witt et al.   BIOCHEMISTRY

Control of Periplasmic Interdomain Thiol:Disulfide Exchange in the Transmembrane Oxidoreductase DsbD

(2008) Despoina A. I. Mavridou et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural Aspects of the Distinct Biochemical Properties of Glutaredoxin 1 and Glutaredoxin 2 from Saccharomyces cerevisiae

(2008) Karen Fulan Discola et al.   JOURNAL OF MOLECULAR BIOLOGY

The Zinc Center Influences the Redox and Thermodynamic Properties of Escherichia coli Thioredoxin 2

(2008) Hayat El Hajjaji et al.   JOURNAL OF MOLECULAR BIOLOGY

Prediction of reversibly oxidized protein cysteine thiols using protein structure properties

(2008) Ricardo Sanchez et al.   PROTEIN SCIENCE

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Geometric characteristics of hydrogen bonds involving sulfur atoms in proteins

(2008) Peng Zhou et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Isotope-coded, iodoacetamide-based reagent to determine individual cysteine pKa values by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry

(2007) Kimberly J. Nelson et al.   ANALYTICAL BIOCHEMISTRY

Protein-protein binding is often associated with changes in protonation state

(2007) Aaron C. Mason et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Prediction of pKa and redox properties in the thioredoxin superfamily

(2004) Efrosini Moutevelis et al.   PROTEIN SCIENCE