Molecular modeling of nearly full-length ErbB2 receptor.

Abstract:

:Members of the epidermal growth factor receptor family play important roles in various cellular processes, both in physiological and in pathological conditions. Dimerization and autophosphorylation of these receptor tyrosine kinases are key events of signal transduction. Details of the molecular events of the signaling are not entirely known. To facilitate the understanding of receptor structure and function at the molecular level, a molecular model was built for the nearly full-length ErbB2 dimer. Modeling was based on the x-ray or nuclear-magnetic resonance structures of extracellular, transmembrane, and intracellular domains. The extracellular domain was positioned above the cell membrane based on the distance determined from experimentally measured fluorescence resonance energy transfer. Favorable dimerization interactions are predicted for the extracellular, transmembrane, and protein kinase domains in the model of a nearly full-length dimer of ErbB2, which may act in a coordinated fashion in ErbB2 homodimerization, and also in heterodimers of ErbB2 with other members of the ErbB family.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Bagossi P,Horváth G,Vereb G,Szöllösi J,Tözsér J

doi

10.1529/biophysj.104.046003

subject

Has Abstract

pub_date

2005-02-01 00:00:00

pages

1354-63

issue

2

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(05)73201-X

journal_volume

88

pub_type

杂志文章
  • Role of E-cadherin in membrane-cortex interaction probed by nanotube extrusion.

    abstract::This study aims to define the role of E-cadherin (Ecad) engagement in cell-cell contact during membrane-cortex interaction. As a tool, we used a hydrodynamic membrane tube extrusion technique to characterize the mechanical interaction between the plasma membrane and the underlying cortical cytoskeleton. Cells were anc...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2008.11.059

    authors: Tabdanov E,Borghi N,Brochard-Wyart F,Dufour S,Thiery JP

    更新日期:2009-03-18 00:00:00

  • Elastic deformation and failure of lipid bilayer membranes containing cholesterol.

    abstract::Giant bilayer vesicles were reconstituted from several lipids and lipid/cholesterol (CHOL) mixtures: stearolyloleoylphosphatidylcholine (SOPC), bovine sphingomyelin (BSM), diarachidonylphosphatidylcholine (DAPC), SOPC/CHOL, BSM/CHOL, DAPC/CHOL, and extracted red blood cell (RBC) lipids with native cholesterol. Single-...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(90)82444-9

    authors: Needham D,Nunn RS

    更新日期:1990-10-01 00:00:00

  • Reversing nerve cell pathology by optimizing modulatory action on target ion channels.

    abstract::In diseases of the brain, the distribution and properties of ion channels display deviations from healthy control subjects. We studied three cases of ion channel alteration related to epileptogenesis. The first case of ion channel alteration represents an enhanced sodium current, the second case addresses the downregu...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2011.08.055

    authors: Tigerholm J,Fransén E

    更新日期:2011-10-19 00:00:00

  • Glycosphingolipid fatty acid arrangement in phospholipid bilayers: cholesterol effects.

    abstract::Deuterium wide line NMR spectroscopy was used to study cholesterol effects on the ceramide portions of two glycosphingolipids (GSLs) distributed as minor components in fluid membranes. The common existence of very long fatty acids on GSLs was taken into account by including one glycolipid species with fatty acid chain...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)80173-6

    authors: Morrow MR,Singh D,Lu D,Grant CW

    更新日期:1995-01-01 00:00:00

  • Comparative phosphorescence quenching of DNA's of different composition.

    abstract::Small amounts of paramagnetic cations quench the phosphorescence of DNA. Although the emission intensity is monotonic with increasing thymine content, the quenching efficiency is not. The cations quench from phosphate sites. ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(67)86594-9

    authors: Isenberg I,Rosenbluth R,Baird SL Jr

    更新日期:1967-07-01 00:00:00

  • A nuclear magnetic resonance investigation of the energetics of basepair opening pathways in DNA.

    abstract::The opening of basepairs plays a key role in DNA replication and transcription, and in the action of DNA repair and modification enzymes. In this article, we have used proton exchange to define the energetics of the pathways for basepair opening in two DNA 17-mer duplexes. The rates of exchange of imino protons with s...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.065763

    authors: Coman D,Russu IM

    更新日期:2005-11-01 00:00:00

  • Excitation transport and trapping on spectrally disordered lattices.

    abstract::It is widely assumed that the decay of fluorescence in photosynthetic systems can be described as a sum of exponential components and that the amplitude of each component is directly related to the absorption cross-section of the antenna pigments coupled to the fluorescing species. We present exact calculations of exc...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(89)82767-5

    authors: Jean JM,Chan CK,Fleming GR,Owens TG

    更新日期:1989-12-01 00:00:00

  • Framework model for single proton conduction through gramicidin.

    abstract::This paper describes a framework model for proton conduction through gramicidin; a model designed to incorporate information from molecular dynamics and use this to predict conductance properties. The state diagram describes both motion of an excess proton within the pore as well as the reorientation of waters within ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)75992-9

    authors: Schumaker MF,Pomès R,Roux B

    更新日期:2001-01-01 00:00:00

  • Induction of morphological changes in model lipid membranes and the mechanism of membrane disruption by a large scorpion-derived pore-forming peptide.

    abstract::The membrane disruption mechanism of pandinin 1 (pin1), an antimicrobial peptide isolated from the venom of the African scorpion, was studied using 31P, 13C, 1H solid-state and multidimensional solution-state NMR spectroscopy. A high-resolution NMR solution structure of pin1 showed that the two distinct alpha-helical ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.070292

    authors: Nomura K,Ferrat G,Nakajima T,Darbon H,Iwashita T,Corzo G

    更新日期:2005-12-01 00:00:00

  • Analysis of protein sequence/structure similarity relationships.

    abstract::Current analyses of protein sequence/structure relationships have focused on expected similarity relationships for structurally similar proteins. To survey and explore the basis of these relationships, we present a general sequence/structure map that covers all combinations of similarity/dissimilarity relationships an...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/s0006-3495(02)75287-9

    authors: Gan HH,Perlow RA,Roy S,Ko J,Wu M,Huang J,Yan S,Nicoletta A,Vafai J,Sun D,Wang L,Noah JE,Pasquali S,Schlick T

    更新日期:2002-11-01 00:00:00

  • White noise analysis of Phycomyces light growth response system. III. Photomutants.

    abstract::Wiener kernels have been measured for the light growth response of a number of mutants of Phycomyces which show abnormal phototropism (mad mutants). Representative mutants were chosen from the six complementation groups (madA to madF) associated with the light response pathway. One group, madA, associated with the inp...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(75)85881-4

    authors: Lipson ED

    更新日期:1975-10-01 00:00:00

  • The donnan equilibrium: a theoretical study of the effects of interionic forces.

    abstract::We investigate the conditions under which nonideality in solution influences the Donnan equilibrium. Of the various parameters that characterize this equilibrium, the osmotic pressure established across the Donnan membrane is found to be particularly sensitive to intermolecular interactions between the diffusible and ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(86)83526-3

    authors: Stell G,Joslin CG

    更新日期:1986-11-01 00:00:00

  • Nucleation and decay initiation are the stiffness-sensitive phases of focal adhesion maturation.

    abstract::A cell plated on a two-dimensional substrate forms adhesions with that surface. These adhesions, which consist of aggregates of various proteins, are thought to be important in mechanosensation, the process by which the cell senses and responds to the mechanical properties of the substrate (e.g., stiffness). On the ba...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2011.11.010

    authors: Walcott S,Kim DH,Wirtz D,Sun SX

    更新日期:2011-12-21 00:00:00

  • Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-A resolution.

    abstract::To the best of our knowledge, this is the first report on the structure of product-inhibited mammalian peroxidase. Lactoperoxidase is a heme containing an enzyme that catalyzes the inactivation of a wide range of microorganisms. In the presence of hydrogen peroxide, it preferentially converts thiocyanate ion into a to...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2008.09.019

    authors: Singh AK,Singh N,Sharma S,Shin K,Takase M,Kaur P,Srinivasan A,Singh TP

    更新日期:2009-01-01 00:00:00

  • From liposomes to supported, planar bilayer structures on hydrophilic and hydrophobic surfaces: an atomic force microscopy study.

    abstract::The sequence of events involved in the transition from attached liposomes to bilayer patches on hydrophilic and hydrophobic solid supports were visualized in situ by Tapping Mode atomic force microscopy in liquid. In a smooth manner, the attached liposomes spread and flattened from the outer edges toward the center un...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(00)76549-0

    authors: Jass J,Tjärnhage T,Puu G

    更新日期:2000-12-01 00:00:00

  • Monte Carlo simulations of proteins in cages: influence of confinement on the stability of intermediate states.

    abstract::We study the folding of small proteins inside confining potentials. Proteins are described using an effective potential model that contains the Ramachandran angles as degrees of freedom and does not need any a priori information about the native state. Hydrogen bonds, dipole-dipole-, and hydrophobic interactions are t...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.125369

    authors: Ojeda P,Garcia ME,Londoño A,Chen NY

    更新日期:2009-02-01 00:00:00

  • Single-molecule nanopositioning: structural transitions of a helicase-DNA complex during ATP hydrolysis.

    abstract::The conformational states of Escherichia coli Rep helicase undergoing ATP hydrolysis while bound to a partial-duplex DNA (pdDNA) were studied using single-molecule FRET. Crystallographic studies showed that Rep bound to single-stranded DNA can exist in open and closed conformations that differ in the orientation of th...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2011.07.010

    authors: Balci H,Arslan S,Myong S,Lohman TM,Ha T

    更新日期:2011-08-17 00:00:00

  • Molecular dynamics simulation of carboxy-myoglobin embedded in a trehalose-water matrix.

    abstract::We report on a molecular dynamics (MD) simulation of carboxy-myoglobin (MbCO) embedded in a water-trehalose system. The mean square fluctuations of protein atoms, calculated at different temperatures in the 100-300 K range, are compared with those from a previous MD simulation on an H2O-solvated MbCO and with experime...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)76072-9

    authors: Cottone G,Cordone L,Ciccotti G

    更新日期:2001-02-01 00:00:00

  • Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis.

    abstract::A variety of experiments suggest that membrane proteins are important targets of anesthetic molecules, and that ion channels interact differently with anesthetics in their open and closed conformations. The availability of an open and a closed structural model for the KirBac1.1 potassium channel has made it possible t...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.119958

    authors: Vemparala S,Domene C,Klein ML

    更新日期:2008-06-01 00:00:00

  • Ion coordination in the amphotericin B channel.

    abstract::The antifungal polyene antibiotic amphotericin B forms channels in lipid membranes that are permeable to ions, water, and nonelectrolytes. Anion, cation, and ion pair coordination in the water-filled pore of the "barrel" unit of the channels was studied by molecular dynamics simulations. Unlike the case of the gramici...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(96)79491-2

    authors: Khutorsky V

    更新日期:1996-12-01 00:00:00

  • Why pancreatic islets burst but single beta cells do not. The heterogeneity hypothesis.

    abstract::Previous mathematical modeling of beta cell electrical activity has involved single cells or, recently, clusters of identical cells. Here we model clusters of heterogeneous cells that differ in size, channel density, and other parameters. We use gap-junctional electrical coupling, with conductances determined by an ex...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(93)81539-X

    authors: Smolen P,Rinzel J,Sherman A

    更新日期:1993-06-01 00:00:00

  • Binding constants of Li+, K+, and Tl+ in the gramicidin channel determined from water permeability measurements.

    abstract::In an open circuit there can be no net cation flux through membranes containing only cation-selective channels, because electroneutrality must be maintained. If the channels are so narrow that water and cations cannot pass by each other, then the net water flux through those "single-file" channels that contain a catio...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(81)84804-7

    authors: Dani JA,Levitt DG

    更新日期:1981-08-01 00:00:00

  • High-bandwidth protein analysis using solid-state nanopores.

    abstract::High-bandwidth measurements of the ion current through hafnium oxide and silicon nitride nanopores allow the analysis of sub-30 kD protein molecules with unprecedented time resolution and detection efficiency. Measured capture rates suggest that at moderate transmembrane bias values, a substantial fraction of protein ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2013.12.025

    authors: Larkin J,Henley RY,Muthukumar M,Rosenstein JK,Wanunu M

    更新日期:2014-02-04 00:00:00

  • Depth-resolved measurement of transient structural changes during action potential propagation.

    abstract::We report noncontact optical measurement of fast transient structural changes in the crustacean nerve during action potential propagation without the need for exogenous chemicals or reflection coatings. The technique, spectral domain optical coherence tomography, provides real-time cross-sectional images of the nerve ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.091298

    authors: Akkin T,Joo C,de Boer JF

    更新日期:2007-08-15 00:00:00

  • Thermodynamics of interdigitated phases of phosphatidylcholine in glycerol.

    abstract::Comparison of the electron spin resonance spectra of phosphatidylcholines spin-labeled in the sn-2 chain at a position close to the polar region and close to the methyl terminus indicate that symmetrical saturated diacyl phosphatidylcholines with odd and even chain lengths from 13 to 20 C-atoms (and probably also 12 C...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)80009-3

    authors: Swamy MJ,Marsh D

    更新日期:1995-10-01 00:00:00

  • Thermodynamics of the human brain.

    abstract::The human brain may be regarded as an irreversible system which is constrained by a fixed inflow of free energy in the form of chemical nourishment from within the body and information from the environment. The evolution of the internal spontaneous process may be described as a path on the saddle surface of entropy pr...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(65)86763-7

    authors: Kirkaldy JS

    更新日期:1965-11-01 00:00:00

  • Enzyme-substrate reactions in very high magnetic fields. I.

    abstract::The availability of very high magnetic fields of up to 170,000 gauss made it worthwhile to pursue the search for a critical change in the rate of four enzyme substrate reactions. The four enzymes were ribonuclease, polyphenol oxidase, peroxidase, and aldolase. The experiments showed that, to within +/-3%, no detectabl...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(67)86583-4

    authors: Rabinovitch B,Maling JE,Weissbluth M

    更新日期:1967-03-01 00:00:00

  • Molecular dynamics of alamethicin transmembrane channels from open-channel current noise analysis.

    abstract::Conductance noise measurement of the open states of alamethicin transmembrane channels reveals excess noise attributable to cooperative low-frequency molecular dynamics that can generate fluctuations approximately 1 A rms in the effective channel pore radius. Single-channel currents through both persistent and nonpers...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)80103-7

    authors: Mak DO,Webb WW

    更新日期:1995-12-01 00:00:00

  • The enthalpy of acyl chain packing and the apparent water-accessible apolar surface area of phospholipids.

    abstract::The energetics of phospholipid aggregation depend on the apparent water-accessible apolar surface area (ASAap), ordering effects of the chains, and headgroup interactions. We quantify the enthalpy and entropy of these interactions separately. For that purpose, the thermodynamics of micelle formation of lysophosphatidy...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)76012-2

    authors: Heerklotz H,Epand RM

    更新日期:2001-01-01 00:00:00

  • An alpha-helical peptide in AOT micelles prefers to be localized at the water/headgroup interface.

    abstract::A model alpha-helical peptide encapsulated in a reverse micelle is used to study the structure and dynamics of proteins under constrained environments that mimic the membrane-water environment in cells. Molecular dynamics simulations of the self assembly of systems composed of a peptide, sodium bis(2-ethylhexyl) sulfo...

    journal_title:Biophysical journal

    pub_type: 信件

    doi:10.1016/j.bpj.2009.03.014

    authors: Tian J,Garcia AE

    更新日期:2009-05-20 00:00:00