An Integrated Mass Spectrometry and Molecular Dynamics Simulations Approach Reveals the Spatial Organization Impact of Metal-Binding Sites on the Stability of Metal-Depleted Metallothionein-2 Species

The Effects of Sodium Ions on Ligand Binding and Conformational States of G Protein-Coupled Receptors—Insights from Mass Spectrometry

(2021) Mark T. Agasid et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ag+ Ion Binding to Human Metallothionein-2A Is Cooperative and Domain Specific

(2020) Shiyu Dong et al.   ANALYTICAL CHEMISTRY

Metal and affinity-specific dual labeling of cysteine-rich proteins for identification of metal-binding sites

(2020) Manuel David Peris-Diaz et al.   ANALYTICAL CHEMISTRY

A chemometric-assisted voltammetric analysis of free and Zn(II)-loaded metallothionein-3 states

(2020) Manuel David Peris-Díaz et al.   BIOELECTROCHEMISTRY

Interplay between Carbonic Anhydrases and Metallothioneins: Structural Control of Metalation

(2020) Daisy L. Wong et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Mass Spectrometry-Based Structural Analysis of Cysteine-Rich Metal-Binding Sites in Proteins with MetaOdysseus R Software

(2020) Manuel David Peris-Díaz et al.   JOURNAL OF PROTEOME RESEARCH

Galvanization of Protein–Protein Interactions in a Dynamic Zinc Interactome

(2020) Anna Kocyła et al.   TRENDS IN BIOCHEMICAL SCIENCES

Ion Mobility Mass Spectrometry Uncovers the Impact of the Patterning of Oppositely Charged Residues on the Conformational Distributions of Intrinsically Disordered Proteins

(2019) Rebecca Beveridge et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protein Ions Generated by Native Electrospray Ionization: Comparison of Gas Phase, Solution, and Crystal Structures

(2019) Maryam Bakhtiari et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Weighing-up protein dynamics: the combination of native mass spectrometry and molecular dynamics simulations

(2019) Erik G Marklund et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Metal Ion Binding to the Amyloid β Monomer Studied by Native Top-Down FTICR Mass Spectrometry

(2019) Frederik Lermyte et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Promoting transparency and reproducibility in enhanced molecular simulations

(2019)   NATURE METHODS

Multistep Protein Unfolding Scenarios from the Rupture of a Complex Metal Cluster Cd3S9

(2019) Guodong Yuan et al.   Scientific Reports

Upgrading and Validation of the AMBER Force Field for Histidine and Cysteine Zinc(II)-Binding Residues in Sites with Four Protein Ligands

(2019) Marina Macchiagodena et al.   Journal of Chemical Information and Modeling

Salt-bridge dynamics in intrinsically disordered proteins: A trade-off between electrostatic interactions and structural flexibility

(2018) Sankar Basu et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Crosstalk of the structural and zinc buffering properties of mammalian metallothionein-2

(2018) Agnieszka Drozd et al.   Metallomics

Collision-Induced Unfolding of Partially Metalated Metallothionein-2A: Tracking Unfolding Reactions of Gas Phase Ions

(2018) Shiyu Dong et al.   ANALYTICAL CHEMISTRY

The type 4 metallothionein from Brassica napus seeds folds in a metal-dependent fashion and favours zinc over other metals

(2018) Agnieszka Mierek-Adamska et al.   Metallomics

Metallothionein diversity and distribution in the tree of life: a multifunctional protein

(2018) Antoine Ziller et al.   Metallomics

The Functions of Metamorphic Metallothioneins in Zinc and Copper Metabolism

(2017) Artur Krężel et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Addressing a Common Misconception: Ammonium Acetate as Neutral pH “Buffer” for Native Electrospray Mass Spectrometry

(2017) Lars Konermann   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations

(2017) Federica Moraca et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Integrating mass spectrometry with MD simulations reveals the role of lipids in Na+/H+ antiporters

(2017) Michael Landreh et al.   Nature Communications

The biological inorganic chemistry of zinc ions

(2016) Artur Krężel et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Mechanism of the Pseudoirreversible Binding of Amantadine to the M2 Proton Channel

(2016) Salomé Llabrés et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Native Mass Spectrometry: What is in the Name?

(2016) Aneika C. Leney et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Thermodynamics of Pb(ii) and Zn(ii) binding to MT-3, a neurologically important metallothionein

(2016) M. C. Carpenter et al.   Metallomics

Defining the metal binding pathways of human metallothionein 1a: balancing zinc availability and cadmium seclusion

(2016) Gordon W. Irvine et al.   Metallomics

Putting the pieces into place: Properties of intact zinc metallothionein 1A determined from interaction of its isolated domains with carbonic anhydrase

(2015) T. B. J. Pinter et al.   BIOCHEMICAL JOURNAL

Reaction of Human Cd7metallothionein and N-Ethylmaleimide: Kinetic and Structural Insights from Electrospray Ionization Mass Spectrometry

(2015) Shu-Hua Chen et al.   BIOCHEMISTRY

Determination of thermodynamic and kinetic properties of biomolecules by mass spectrometry

(2015) Basri Gülbakan et al.   CURRENT OPINION IN BIOTECHNOLOGY

Specific Ion Binding at Phospholipid Membrane Surfaces

(2015) Jing Yang et al.   Journal of Chemical Theory and Computation

Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics

(2015) Jim Pfaendtner et al.   Journal of Chemical Theory and Computation

Supermetallization of peptides and proteins during electrospray ionization

(2015) Yury Kostyukevich et al.   JOURNAL OF MASS SPECTROMETRY

Relationship between the architecture of zinc coordination and zinc binding affinity in proteins – insights into zinc regulation

(2015) Tomasz Kochańczyk et al.   Metallomics

Role of water and steric constraints in the kinetics of cavity–ligand unbinding

(2015) Pratyush Tiwary et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modeling Zn2+ Release From Metallothionein

(2014) C. Satheesan Babu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

MS Amanda, a Universal Identification Algorithm Optimized for High Accuracy Tandem Mass Spectra

(2014) Viktoria Dorfer et al.   JOURNAL OF PROTEOME RESEARCH

Metal-Induced Conformational Changes of Human Metallothionein-2A: A Combined Theoretical and Experimental Study of Metal-Free and Partially Metalated Intermediates

(2014) Shu-Hua Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Combining Chemical Labeling, Bottom-Up and Top-Down Ion-Mobility Mass Spectrometry To Identify Metal-Binding Sites of Partially Metalated Metallothionein

(2013) Shu-Hua Chen et al.   ANALYTICAL CHEMISTRY

Probing the Conformational Diversity of Cancer-Associated Mutations in p53 with Ion-Mobility Mass Spectrometry

(2013) Ewa Jurneczko et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent

(2013) Pengfei Li et al.   Journal of Chemical Theory and Computation

Mammalian MT1 and MT2 metallothioneins differ in their metal binding abilities

(2013) Ester Artells et al.   Metallomics

Intrinsically Disordered p53 and Its Complexes Populate Compact Conformations in the Gas Phase

(2012) Kevin Pagel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metadynamics with Adaptive Gaussians

(2012) Davide Branduardi et al.   Journal of Chemical Theory and Computation

Mammalian metallothioneins: properties and functions

(2012) Petr Babula et al.   Metallomics

Analysis and Functional Prediction of Reactive Cysteine Residues

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

Metallothionein protein evolution: a miniassay

(2011) Mercè Capdevila et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Identification of Two Reactive Cysteine Residues in the Tumor Suppressor Protein p53 Using Top-Down FTICR Mass Spectrometry

(2011) Jenna Scotcher et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Metal binding to a zinc-finger peptide: a comparison between solution and the gas phase

(2010) Yana Berezovskaya et al.   CHEMICAL COMMUNICATIONS

Top-down mass spectrometry of supercharged native protein–ligand complexes

(2010) Sheng Yin et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Cytosolic zinc buffering and muffling: Their role in intracellular zinc homeostasis

(2010) Robert A. Colvin et al.   Metallomics

Metallothioneins: unparalleled diversity in structures and functions for metal ion homeostasis and more

(2010) Claudia A. Blindauer et al.   NATURAL PRODUCT REPORTS

Electrospray ionization mass spectrometry of zinc, cadmium, and copper metallothioneins: Evidence for metal-binding cooperativity

(2010) Peter M. Gehrig et al.   PROTEIN SCIENCE

Coordination Dynamics of Zinc in Proteins

(2009) Wolfgang Maret et al.   CHEMICAL REVIEWS

Kinetic Analysis of Arsenic−Metalation of Human Metallothionein: Significance of the Two-Domain Structure

(2008) Thanh T. Ngu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS