How Cu(II) binding affects structure and dynamics of α-synuclein revealed by molecular dynamics simulations
出版年份 2022 全文链接
标题
How Cu(II) binding affects structure and dynamics of α-synuclein revealed by molecular dynamics simulations
作者
关键词
-
出版物
JOURNAL OF INORGANIC BIOCHEMISTRY
Volume 239, Issue -, Pages 112068
出版商
Elsevier BV
发表日期
2022-11-14
DOI
10.1016/j.jinorgbio.2022.112068
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Molecular Dynamics-Assisted Interpretation of Experimentally Determined Intrinsically Disordered Protein Conformational Components: The Case of Human α-Synuclein
- (2022) Oscar Palomino-Hernandez et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Aromaticity at position 39 in α‐synuclein: A modulator of amyloid fibril assembly and membrane‐bound conformations
- (2022) Fiamma A. Buratti et al. PROTEIN SCIENCE
- Cu2+ ions modulate the interaction between α-synuclein and lipid membranes
- (2022) Hongzhi Wang et al. JOURNAL OF INORGANIC BIOCHEMISTRY
- Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
- (2021) Phuong H. Nguyen et al. CHEMICAL REVIEWS
- Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods
- (2021) Mustapha Carab Ahmed et al. Frontiers in Molecular Biosciences
- Role of α-Synuclein Regions in Nucleation and Elongation of Amyloid Fiber Assembly
- (2020) José Gallardo et al. ACS Chemical Neuroscience
- Epitope region identification challenges of intrinsically disordered proteins in neurodegenerative diseases: Secondary structure dependence of α‐synuclein on simulation techniques and force field parameters
- (2020) Sunay Y. Mandaci et al. Chemical Biology & Drug Design
- The N-terminal Acetylation of α-Synuclein Changes the Affinity for Lipid Membranes but not the Structural Properties of the Bound State
- (2020) Matteo Runfola et al. Scientific Reports
- Structures of the intrinsically disordered Aβ, tau and α-synuclein proteins in aqueous solution from computer simulations
- (2020) Phuong H. Nguyen et al. BIOPHYSICAL CHEMISTRY
- Metal ions shape α-synuclein
- (2020) Rani Moons et al. Scientific Reports
- Cu2+, Ca2+, and methionine oxidation expose the hydrophobic α-synuclein NAC domain
- (2020) Rafael Ramis et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-β42 and α-synuclein
- (2019) Shayon Bhattacharya et al. ACS Chemical Neuroscience
- A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein
- (2019) Rafael Ramis et al. Journal of Chemical Information and Modeling
- Interaction between Copper Chaperone Atox1 and Parkinson’s Disease Protein α-Synuclein Includes Metal-Binding Sites and Occurs in Living Cells
- (2019) Istvan Horvath et al. ACS Chemical Neuroscience
- Depicting Conformational Ensembles of α-Synuclein by Single Molecule Force Spectroscopy and Native Mass Spectroscopy
- (2019) Roberta Corti et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Supramolecular Modulation of Structural Polymorphism in Pathogenic α-Synuclein Fibrils Using Copper(II) Coordination
- (2018) Tae Su Choi et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Developing a molecular dynamics force field for both folded and disordered protein states
- (2018) Paul Robustelli et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- C-Terminal CuII Coordination to α-Synuclein Enhances Aggregation
- (2018) Dinendra L. Abeyawardhane et al. ACS Chemical Neuroscience
- The IDP-Specific Force Field ff14IDPSFF Improves the Conformer Sampling of Intrinsically Disordered Proteins
- (2017) Dong Song et al. Journal of Chemical Information and Modeling
- Modulating membrane binding of α-synuclein as a therapeutic strategy
- (2017) André Pineda et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Coupling of the non-amyloid-component (NAC) domain and the KTK(E/Q)GV repeats stabilize the α-synuclein fibrils
- (2016) Liang Xu et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- MCPB.py: A Python Based Metal Center Parameter Builder
- (2016) Pengfei Li et al. Journal of Chemical Information and Modeling
- Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein
- (2016) Marcus D Tuttle et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- Dynamic structural flexibility of α-synuclein
- (2016) Danielle E. Mor et al. NEUROBIOLOGY OF DISEASE
- Environmental and genetic factors support the dissociation between α-synuclein aggregation and toxicity
- (2016) Anna Villar-Piqué et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein
- (2016) Marcus D Tuttle et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- The N Terminus of α-Synuclein Forms CuII-Bridged Oligomers
- (2015) Simon C. Drew CHEMISTRY-A EUROPEAN JOURNAL
- Remote His50 Acts as a Coordination Switch in the High-Affinity N-Terminal Centered Copper(II) Site of α-Synuclein
- (2015) Riccardo De Ricco et al. INORGANIC CHEMISTRY
- Transient β-hairpin formation in α-synuclein monomer revealed by coarse-grained molecular dynamics simulation
- (2015) Hang Yu et al. JOURNAL OF CHEMICAL PHYSICS
- Intrinsically Disordered Proteins and Intrinsically Disordered Protein Regions
- (2014) Christopher J. Oldfield et al. Annual Review of Biochemistry
- A Revised Picture of the Cu(II)−α-Synuclein Complex: The Role of N-Terminal Acetylation
- (2014) Gina M. Moriarty et al. BIOCHEMISTRY
- Site-Specific Copper-Catalyzed Oxidation of α-Synuclein: Tightening the Link between Metal Binding and Protein Oxidative Damage in Parkinson’s Disease
- (2014) Marco C. Miotto et al. INORGANIC CHEMISTRY
- Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation
- (2014) Yinglong Miao et al. Journal of Chemical Theory and Computation
- Balanced Protein–Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association
- (2014) Robert B. Best et al. Journal of Chemical Theory and Computation
- Copper(I)-α-Synuclein Interaction: Structural Description of Two Independent and Competing Metal Binding Sites
- (2013) Francesca Camponeschi et al. INORGANIC CHEMISTRY
- N-terminal Acetylation Stabilizes N-terminal Helicity in Lipid- and Micelle-bound α-Synuclein and Increases Its Affinity for Physiological Membranes
- (2013) Igor Dikiy et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- Site-Specific Interaction between α-Synuclein and Membranes Probed by NMR-Observed Methionine Oxidation Rates
- (2013) Alexander S. Maltsev et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Properties of native brain α-synuclein
- (2013) Jacqueline Burré et al. NATURE
- Coordination of Copper to the Membrane-Bound Form of α-Synuclein
- (2012) Christopher G. Dudzik et al. BIOCHEMISTRY
- Unusual biophysics of intrinsically disordered proteins
- (2012) Vladimir N. Uversky BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- FindGeo: a tool for determining metal coordination geometry
- (2012) Claudia Andreini et al. BIOINFORMATICS
- Bioinorganic chemistry of copper coordination to alpha-synuclein: Relevance to Parkinson's disease
- (2012) Andrés Binolfi et al. COORDINATION CHEMISTRY REVIEWS
- Peculiarities of Copper Binding to α-Synuclein
- (2012) Atta Ahmad et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Comparison of the structural characteristics of Cu2+-bound and unbound α-syn12 peptide obtained in simulations using different force fields
- (2012) Zanxia Cao et al. JOURNAL OF MOLECULAR MODELING
- Aggregation of -synuclein is kinetically controlled by intramolecular diffusion
- (2012) B. Ahmad et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Coordination Features and Affinity of the Cu2+Site in the α-Synuclein Protein of Parkinson’s Disease
- (2011) Christopher G. Dudzik et al. BIOCHEMISTRY
- The role of His-50 of α-synuclein in binding Cu(ii): pH dependence, speciation, thermodynamics and structure
- (2011) Daniela Valensin et al. Metallomics
- Copper(ii) enhances membrane-bound α-synuclein helix formation
- (2011) Heather R. Lucas et al. Metallomics
- Mechanism of copper(II)-induced misfolding of Parkinson's disease protein
- (2011) Frisco Rose et al. Scientific Reports
- Redox Reactions of the α-Synuclein−Cu2+Complex and Their Effects on Neuronal Cell Viability
- (2010) Chengshan Wang et al. BIOCHEMISTRY
- The structure of dopamine induced α-synuclein oligomers
- (2010) Agata Rekas et al. EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
- Bioinorganic Chemistry of Parkinson’s Disease: Structural Determinants for the Copper-Mediated Amyloid Formation of Alpha-Synuclein
- (2010) Andrés Binolfi et al. INORGANIC CHEMISTRY
- Segmental Conformational Disorder and Dynamics in the Intrinsically Disordered Protein α-Synuclein and Its Chain Length Dependence
- (2010) Asaf Grupi et al. JOURNAL OF MOLECULAR BIOLOGY
- Copper binding regulates intracellular alpha-synuclein localisation, aggregation and toxicity
- (2010) Xiaoyan Wang et al. JOURNAL OF NEUROCHEMISTRY
- Structural Characterization of a High Affinity Mononuclear Site in the Copper(II)-α-Synuclein Complex
- (2010) Marco Bortolus et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Metal binding to alpha-synuclein peptides and its contribution to toxicity
- (2009) David R. Brown BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
- Unique copper-induced oligomers mediate alpha-synuclein toxicity
- (2009) Josephine A. Wright et al. FASEB JOURNAL
- Interaction Between α-Synuclein and Metal Ions, Still Looking for a Role in the Pathogenesis of Parkinson’s Disease
- (2009) Marco Bisaglia et al. NEUROMOLECULAR MEDICINE
- Impact of Tyr to Ala mutations on α-synuclein fibrillation and structural properties
- (2008) Nataša Poklar Ulrih et al. BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE
- Cu2+Binding Modes of Recombinant α-Synuclein − Insights from EPR Spectroscopy
- (2008) Simon C. Drew et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Structure of membrane-bound -synuclein from site-directed spin labeling and computational refinement
- (2008) C. C. Jao et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Conformational Equilibria in Monomeric α-Synuclein at the Single-Molecule Level
- (2008) Massimo Sandal et al. PLOS BIOLOGY
- Alpha-synuclein and its role in metal binding: Relevance to Parkinson's disease
- (2007) Josephine A. Wright et al. JOURNAL OF NEUROSCIENCE RESEARCH
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