Molecular dynamics simulation suggests possible interaction patterns at early steps of beta2-microglobulin aggregation.

PubWeight™: 0.96‹?› | Rank: Top 15%

🔗 View Article (PMC 1796822)

Published in Biophys J on December 08, 2006

Authors

Federico Fogolari1, Alessandra Corazza, Paolo Viglino, Pierfrancesco Zuccato, Lidia Pieri, Pietro Faccioli, Vittorio Bellotti, Gennaro Esposito

Author Affiliations

1: Dipartimento di Scienze e Tecnologie Biomediche, Università di Udine, Udine, Italy. ffogolari@mail.dstb.uniud.it

Articles citing this

Understanding the complex mechanisms of β2-microglobulin amyloid assembly. FEBS J (2011) 1.09

Effect of tetracyclines on the dynamics of formation and destructuration of beta2-microglobulin amyloid fibrils. J Biol Chem (2010) 0.96

Native-unlike long-lived intermediates along the folding pathway of the amyloidogenic protein beta2-microglobulin revealed by real-time two-dimensional NMR. J Biol Chem (2009) 0.95

All-atom computer simulations of amyloid fibrils disaggregation. Biophys J (2008) 0.86

Structural and dynamics characteristics of acylphosphatase from Sulfolobus solfataricus in the monomeric state and in the initial native-like aggregates. J Biol Chem (2010) 0.84

A simulated intermediate state for folding and aggregation provides insights into ΔN6 β2-microglobulin amyloidogenic behavior. PLoS Comput Biol (2014) 0.83

GPU/CPU Algorithm for Generalized Born/Solvent-Accessible Surface Area Implicit Solvent Calculations. J Chem Theory Comput (2012) 0.80

C. elegans expressing human β2-microglobulin: a novel model for studying the relationship between the molecular assembly and the toxic phenotype. PLoS One (2012) 0.80

Molecular models for intrastrand DNA G-quadruplexes. BMC Struct Biol (2009) 0.76

Structural diversity and initial oligomerization of PrP106-126 studied by replica-exchange and conventional molecular dynamics simulations. PLoS One (2014) 0.76

Studying interactions by molecular dynamics simulations at high concentration. J Biomed Biotechnol (2012) 0.76

Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability. Sci Rep (2016) 0.76

Insights from molecular dynamics simulations for computational protein design. Mol Syst Des Eng (2017) 0.75

Articles cited by this

VMD: visual molecular dynamics. J Mol Graph (1996) 117.02

Structure of the cross-beta spine of amyloid-like fibrils. Nature (2005) 11.56

Seeding "one-dimensional crystallization" of amyloid: a pathogenic mechanism in Alzheimer's disease and scrapie? Cell (1993) 10.15

Refined structure of the human histocompatibility antigen HLA-A2 at 2.6 A resolution. J Mol Biol (1991) 4.44

Structural insights into a yeast prion illuminate nucleation and strain diversity. Nature (2005) 3.86

Kinetic theory of fibrillogenesis of amyloid beta-protein. Proc Natl Acad Sci U S A (1997) 3.40

Dissecting the assembly of Abeta16-22 amyloid peptides into antiparallel beta sheets. Structure (2003) 3.18

Stabilities and conformations of Alzheimer's beta -amyloid peptide oligomers (Abeta 16-22, Abeta 16-35, and Abeta 10-35): Sequence effects. Proc Natl Acad Sci U S A (2002) 3.06

Mapping the core of the beta(2)-microglobulin amyloid fibril by H/D exchange. Nat Struct Biol (2002) 2.99

Amyloid formation under physiological conditions proceeds via a native-like folding intermediate. Nat Struct Mol Biol (2006) 2.82

Structural properties of an amyloid precursor of beta(2)-microglobulin. Nat Struct Biol (2002) 2.21

A native to amyloidogenic transition regulated by a backbone trigger. Nat Struct Mol Biol (2006) 2.20

Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides. Proc Natl Acad Sci U S A (2004) 2.18

Amyloid fibril formation requires a chemically discriminating nucleation event: studies of an amyloidogenic sequence from the bacterial protein OsmB. Biochemistry (1992) 2.16

The role of side-chain interactions in the early steps of aggregation: Molecular dynamics simulations of an amyloid-forming peptide from the yeast prion Sup35. Proc Natl Acad Sci U S A (2003) 2.14

Removal of the N-terminal hexapeptide from human beta2-microglobulin facilitates protein aggregation and fibril formation. Protein Sci (2000) 1.83

Kinetic analysis of amyloid fibril polymerization in vitro. Lab Invest (1991) 1.72

Molecular dynamics simulation of amyloid beta dimer formation. Biophys J (2004) 1.63

Replica exchange molecular dynamics simulations of amyloid peptide aggregation. J Chem Phys (2004) 1.53

Short peptide amyloid organization: stabilities and conformations of the islet amyloid peptide NFGAIL. Biophys J (2003) 1.33

Collagen plays an active role in the aggregation of beta2-microglobulin under physiopathological conditions of dialysis-related amyloidosis. J Biol Chem (2006) 1.33

Water clusters: untangling the mysteries of the liquid, one molecule at a time. Proc Natl Acad Sci U S A (2001) 1.26

Amino acid empirical contact energy definitions for fold recognition in the space of contact maps. BMC Bioinformatics (2003) 1.24

Pauling and Corey's alpha-pleated sheet structure may define the prefibrillar amyloidogenic intermediate in amyloid disease. Proc Natl Acad Sci U S A (2004) 1.23

Oligomerization of amyloid Abeta16-22 peptides using hydrogen bonds and hydrophobicity forces. Biophys J (2004) 1.16

Elongation of ordered peptide aggregate of an amyloidogenic hexapeptide NFGAIL observed in molecular dynamics simulations with explicit solvent. J Am Chem Soc (2005) 1.11

Protein misfolding and amyloid formation for the peptide GNNQQNY from yeast prion protein Sup35: simulation by reaction path annealing. J Mol Biol (2005) 1.08

Sequence dependence of amyloid fibril formation: insights from molecular dynamics simulations. J Mol Biol (2005) 1.04

The sequence dependence of fiber organization. A comparative molecular dynamics study of the islet amyloid polypeptide segments 22-27 and 22-29. J Mol Biol (2003) 1.04

Towards an understanding of the structural molecular mechanism of beta(2)-microglobulin amyloid formation in vitro. Biochim Biophys Acta (2005) 1.03

Theoretical model of prion propagation: a misfolded protein induces misfolding. Proc Natl Acad Sci U S A (2005) 1.02

Properties of some variants of human beta2-microglobulin and amyloidogenesis. J Biol Chem (2003) 0.98

Historical background and clinical treatment of dialysis-related amyloidosis. Biochim Biophys Acta (2005) 0.97

Direct observation of protein folding, aggregation, and a prion-like conformational conversion. J Biol Chem (2005) 0.96

Molecular dynamics studies of the process of amyloid aggregation of peptide fragments of transthyretin. J Mol Biol (2004) 0.95

Beta2-microglobulin isoforms display an heterogeneous affinity for type I collagen. Protein Sci (2005) 0.94

Molecular dynamics simulations of the unfolding of beta(2)-microglobulin and its variants. Protein Eng (2003) 0.93

Structural studies reveal that the diverse morphology of beta(2)-microglobulin aggregates is a reflection of different molecular architectures. Biochim Biophys Acta (2005) 0.92

Beta2-microglobulin amyloidosis: insights from conservation analysis and fibril modelling by protein docking techniques. J Mol Biol (2003) 0.88

Characterization of two distinct beta2-microglobulin unfolding intermediates that may lead to amyloid fibrils of different morphology. Biochemistry (2005) 0.88

Helix versus sheet formation in a small peptide. Phys Rev E Stat Nonlin Soft Matter Phys (2003) 0.88

Structural stability of amyloid fibrils of beta(2)-microglobulin in comparison with its native fold. Biochim Biophys Acta (2005) 0.87

Modeling the alpha-helix to beta-hairpin transition mechanism and the formation of oligomeric aggregates of the fibrillogenic peptide Abeta(12-28): insights from all-atom molecular dynamics simulations. J Mol Graph Model (2004) 0.86

Thermodynamics of beta-amyloid fibril formation. J Chem Phys (2004) 0.84

Solution structure of beta(2)-microglobulin and insights into fibrillogenesis. Biochim Biophys Acta (2005) 0.83

Structures of a peptide fragment of beta2-microglobulin studied by replica-exchange molecular dynamics simulations - towards the understanding of the mechanism of amyloid formation. FEBS Lett (2005) 0.81

Fibril modelling by sequence and structure conservation analysis combined with protein docking techniques: beta(2)-microglobulin amyloidosis. Biochim Biophys Acta (2005) 0.77

Articles by these authors

Molecular mechanisms of amyloidosis. N Engl J Med (2003) 7.75

Targeting C-reactive protein for the treatment of cardiovascular disease. Nature (2006) 4.07

Antibodies to human serum amyloid P component eliminate visceral amyloid deposits. Nature (2010) 1.81

The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition. Protein Sci (2002) 1.44

Atomic structure of a nanobody-trapped domain-swapped dimer of an amyloidogenic beta2-microglobulin variant. Proc Natl Acad Sci U S A (2011) 1.38

Collagen plays an active role in the aggregation of beta2-microglobulin under physiopathological conditions of dialysis-related amyloidosis. J Biol Chem (2006) 1.33

Computer simulation studies of microcrystalline cellulose Ibeta. Carbohydr Res (2005) 1.29

Rapid proton-detected NMR assignment for proteins with fast magic angle spinning. J Am Chem Soc (2014) 1.29

cGMP-binding prepares PKG for substrate binding by disclosing the C-terminal domain. J Mol Biol (2007) 1.27

Hereditary systemic amyloidosis due to Asp76Asn variant β2-microglobulin. N Engl J Med (2012) 1.26

The controlling roles of Trp60 and Trp95 in beta2-microglobulin function, folding and amyloid aggregation properties. J Mol Biol (2008) 1.24

Structure, function and amyloidogenic propensity of apolipoprotein A-I. Amyloid (2006) 1.22

RD-CODOX-M/IVAC with rituximab and intrathecal liposomal cytarabine in adult Burkitt lymphoma and 'unclassifiable' highly aggressive B-cell lymphoma. Br J Haematol (2011) 1.20

Heparin strongly enhances the formation of beta2-microglobulin amyloid fibrils in the presence of type I collagen. J Biol Chem (2007) 1.18

Amyloidogenic and associated proteins in systemic amyloidosis proteome of adipose tissue. Mol Cell Proteomics (2008) 1.14

Relevance of b-values in evaluating liver fibrosis: a study in healthy and cirrhotic subjects using two single-shot spin-echo echo-planar diffusion-weighted sequences. J Magn Reson Imaging (2008) 1.14

Susceptibility to AA amyloidosis in rheumatic diseases: a critical overview. Arthritis Rheum (2009) 1.10

Dominant folding pathways of a WW domain. Proc Natl Acad Sci U S A (2012) 1.07

Conformational switching and fibrillogenesis in the amyloidogenic fragment of apolipoprotein a-I. J Biol Chem (2002) 1.07

Reversible post-traumatic bilateral extensive restricted diffusion of the brain. A case study and review of the literature. Brain Inj (2009) 1.05

Structure, folding dynamics, and amyloidogenesis of D76N β2-microglobulin: roles of shear flow, hydrophobic surfaces, and α-crystallin. J Biol Chem (2013) 1.04

Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc Natl Acad Sci U S A (2010) 1.02

Molecular dissection of Alzheimer's disease neuropathology by depletion of serum amyloid P component. Proc Natl Acad Sci U S A (2009) 0.99

Structure, conformational stability, and enzymatic properties of acylphosphatase from the hyperthermophile Sulfolobus solfataricus. Proteins (2006) 0.99

Properties of some variants of human beta2-microglobulin and amyloidogenesis. J Biol Chem (2003) 0.98

Effect of tetracyclines on the dynamics of formation and destructuration of beta2-microglobulin amyloid fibrils. J Biol Chem (2010) 0.96

DE loop mutations affect beta2-microglobulin stability and amyloid aggregation. Biochem Biophys Res Commun (2008) 0.96

The EMILIN/Multimerin family. Front Immunol (2012) 0.96

Liver biopsy discloses a new apolipoprotein A-I hereditary amyloidosis in several unrelated Italian families. Gastroenterology (2004) 0.96

DE-loop mutations affect beta2 microglobulin stability, oligomerization, and the low-pH unfolded form. Protein Sci (2010) 0.96

Native-unlike long-lived intermediates along the folding pathway of the amyloidogenic protein beta2-microglobulin revealed by real-time two-dimensional NMR. J Biol Chem (2009) 0.95

Fibrillar vs crystalline full-length beta-2-microglobulin studied by high-resolution solid-state NMR spectroscopy. J Am Chem Soc (2010) 0.94

Estimation of Pap-test coverage in an area with an organised screening program: challenges for survey methods. BMC Health Serv Res (2006) 0.94

Beta2-microglobulin isoforms display an heterogeneous affinity for type I collagen. Protein Sci (2005) 0.94

Capillary electrophoresis studies on the aggregation process of beta-amyloid 1-42 and 1-40 peptides. Electrophoresis (2004) 0.91

Human beta-2 microglobulin W60V mutant structure: Implications for stability and amyloid aggregation. Biochem Biophys Res Commun (2009) 0.91

Micro-heterogeneity and aggregation in beta2-microglobulin solutions: effects of temperature, pH, and conformational variant addition. Eur Biophys J (2006) 0.91

Lysozyme: a paradigmatic molecule for the investigation of protein structure, function and misfolding. Clin Chim Acta (2005) 0.91

Neurodegenerative diseases caused by protein aggregation: a phenomenon at the borderline between molecular evolution and ageing. Pharmacol Res (2004) 0.90

Effects of the known pathogenic mutations on the aggregation pathway of the amyloidogenic peptide of apolipoprotein A-I. J Mol Biol (2011) 0.90

Folding pathways of a knotted protein with a realistic atomistic force field. PLoS Comput Biol (2013) 0.90

Scoring predictive models using a reduced representation of proteins: model and energy definition. BMC Struct Biol (2007) 0.90

A novel AbetaPP mutation exclusively associated with cerebral amyloid angiopathy. Ann Neurol (2005) 0.89

The solution structure of EMILIN1 globular C1q domain reveals a disordered insertion necessary for interaction with the alpha4beta1 integrin. J Biol Chem (2008) 0.89

Topological investigation of amyloid fibrils obtained from beta2-microglobulin. Protein Sci (2002) 0.89

Structure, stability, and aggregation of β-2 microglobulin mutants: insights from a Fourier transform infrared study in solution and in the crystalline state. Biophys J (2012) 0.88

beta2-Microglobulin is potentially neurotoxic, but the blood brain barrier is likely to protect the brain from its toxicity. Nephrol Dial Transplant (2008) 0.88

Pharmaceutical strategies against amyloidosis: old and new drugs in targeting a "protein misfolding disease". Curr Med Chem (2004) 0.88

Proteomics of beta2-microglobulin amyloid fibrils. Biochim Biophys Acta (2005) 0.88

Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii. BMC Bioinformatics (2012) 0.88

The intracellular quality control system down-regulates the secretion of amyloidogenic apolipoprotein A-I variants: a possible impact on the natural history of the disease. Biochim Biophys Acta (2010) 0.87

Folding and fibrillogenesis: clues from beta2-microglobulin. J Mol Biol (2010) 0.87

Risk factors for dislocation arthropathy after Latarjet procedure: a long-term study. Int Orthop (2013) 0.87

The role of non-native interactions in the folding of knotted proteins. PLoS Comput Biol (2012) 0.87

Interaction of copper with cysteine: stability of cuprous complexes and catalytic role of cupric ions in anaerobic thiol oxidation. J Inorg Biochem (2004) 0.86

Variants of beta-microglobulin cleaved at lysine-58 retain the main conformational features of the native protein but are more conformationally heterogeneous and unstable at physiological temperature. FEBS J (2006) 0.86

Perfusion and spectroscopy magnetic resonance imaging in a case of lymphocytic vasculitis mimicking brain tumor. Pol J Radiol (2013) 0.85

Bluues server: electrostatic properties of wild-type and mutated protein structures. Bioinformatics (2012) 0.85

Absolute quantification of choline-related biomarkers in breast cancer biopsies by liquid chromatography electrospray ionization mass spectrometry. Anal Cell Pathol (Amst) (2013) 0.85

Differential steady-state tyrosine phosphorylation of two oligomeric forms of mitochondrial F0F1ATPsynthase: a structural proteomic analysis. Proteomics (2006) 0.85

Determination of protein phosphorylation sites by mass spectrometry: a novel electrospray-based method. Rapid Commun Mass Spectrom (2005) 0.85

Lysine 58-cleaved beta2-microglobulin is not detectable by 2D electrophoresis in ex vivo amyloid fibrils of two patients affected by dialysis-related amyloidosis. Protein Sci (2007) 0.85

Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis. Proc Natl Acad Sci U S A (2014) 0.84

Structural and dynamics characteristics of acylphosphatase from Sulfolobus solfataricus in the monomeric state and in the initial native-like aggregates. J Biol Chem (2010) 0.84