Cargando…

Induced Fit or Conformational Selection? The Role of the Semi-closed State in the Maltose Binding Protein

[Image: see text] A full characterization of the thermodynamic forces underlying ligand-associated conformational changes in proteins is essential for understanding and manipulating diverse biological processes, including transport, signaling, and enzymatic activity. Recent experiments on the maltos...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bucher, Denis, Grant, Barry J., McCammon, J. Andrew
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2011
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3226325/ https://www.ncbi.nlm.nih.gov/pubmed/22050600 http://dx.doi.org/10.1021/bi201481a

Ejemplares similares

Accessing a Hidden Conformation of the Maltose Binding Protein Using Accelerated Molecular Dynamics
por: Bucher, Denis, et al.
Publicado: (2011)

Ras Conformational Switching: Simulating Nucleotide-Dependent Conformational Transitions with Accelerated Molecular Dynamics
por: Grant, Barry J., et al.
Publicado: (2009)

Exploration of Multi-State Conformational Dynamics and Underlying Global Functional Landscape of Maltose Binding Protein
por: Wang, Yong, et al.
Publicado: (2012)

The Distinct Conformational Dynamics of K-Ras and H-Ras A59G
por: Lukman, Suryani, et al.
Publicado: (2010)

Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria
por: Kim, M. Olivia, et al.
Publicado: (2015)

Large-Scale Conformational Changes of Trypanosoma cruzi Proline Racemase Predicted by Accelerated Molecular Dynamics Simulation
por: de Oliveira, César Augusto F., et al.
Publicado: (2011)

Pyrone-Based Inhibitors of Metalloproteinase Types 2 and 3 May Work as Conformation-Selective Inhibitors
por: Durrant, Jacob D, et al.
Publicado: (2011)

Molecular mechanism for conformational activation of SARS-CoV-2 RNA polymerase by nucleoside triphosphate
por: Ma, Wen, et al.
Publicado: (2022)

Conformational Sampling and Nucleotide-Dependent Transitions of the GroEL Subunit Probed by Unbiased Molecular Dynamics Simulations
por: Skjaerven, Lars, et al.
Publicado: (2011)

Solvation Effect on the Conformations of Alanine Dipeptide: Integral Equation Approach
por: Ishizuka, Ryosuke, et al.
Publicado: (2010)

Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields
por: Götz, Andreas W., et al.
Publicado: (2014)

Mechanistic Insight into the Role of Transition-State Stabilization in Cyclophilin A
por: Hamelberg, Donald, et al.
Publicado: (2008)

Toward Understanding the Conformational Dynamics of RNA Ligation
por: Swift, Robert V., et al.
Publicado: (2009)

Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics
por: Ortiz-Sánchez, Juan Manuel, et al.
Publicado: (2012)

Competitive Interactions of Ligands and Macromolecular Crowders with Maltose Binding Protein
por: Miklos, Andrew C., et al.
Publicado: (2013)

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units
por: Lindert, Steffen, et al.
Publicado: (2013)

Integrating comparative modeling and accelerated simulations reveals conformational and energetic basis of actomyosin force generation
por: Ma, Wen, et al.
Publicado: (2023)

Folding of maltose binding protein outside of and in GroEL
por: Ye, Xiang, et al.
Publicado: (2018)

Capturing Differences in the Regulation of LRRK2 Dynamics and Conformational States by Small Molecule Kinase Inhibitors
por: Weng, Jui-Hung, et al.
Publicado: (2023)

On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations
por: Bucher, Denis, et al.
Publicado: (2011)

A Transition Path Ensemble Study Reveals a Linchpin Role for Mg(2+) during Rate-Limiting ADP Release from Protein Kinase A
por: Khavrutskii, Ilja V., et al.
Publicado: (2009)

Enhanced Ligand Sampling for Relative Protein–Ligand Binding Free Energy Calculations
por: Kaus, Joseph W., et al.
Publicado: (2015)

Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations
por: Wereszczynski, Jeff, et al.
Publicado: (2010)

Electrostatically Biased Binding of Kinesin to Microtubules
por: Grant, Barry J., et al.
Publicado: (2011)

Identification of Potential Small Molecule Binding Pockets on Rho Family GTPases
por: Ortiz-Sanchez, Juan Manuel, et al.
Publicado: (2012)

Mutations in maltose-binding protein that alter affinity and solubility properties
por: Walker, Iris H., et al.
Publicado: (2010)

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation
por: Miao, Yinglong, et al.
Publicado: (2014)

Insertion of the Ca(2+)-Independent Phospholipase A(2) into a Phospholipid Bilayer via Coarse-Grained and Atomistic Molecular Dynamics Simulations
por: Bucher, Denis, et al.
Publicado: (2013)

Structure dictates the mechanism of ligand recognition in the histidine and maltose binding proteins
por: Jayanthi, Lakshmi P., et al.
Publicado: (2020)

Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target
por: Sinko, William, et al.
Publicado: (2011)

Fluoroketone Inhibition of Ca(2+)-Independent Phospholipase A(2) through Binding Pocket Association Defined by Hydrogen/Deuterium Exchange and Molecular Dynamics
por: Hsu, Yuan-Hao, et al.
Publicado: (2012)

A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein
por: Silva, Daniel-Adriano, et al.
Publicado: (2011)

Correction to “Fluoroketone Inhibition of Ca(2+)-Independent Phospholipase A(2) through Binding Pocket Association Defined by Hydrogen/Deuterium Exchange and Molecular Dynamics”
por: Hsu, Yuan-Hao, et al.
Publicado: (2013)

Computational Identification of Uncharacterized Cruzain Binding Sites
por: Durrant, Jacob D., et al.
Publicado: (2010)

Targeted Molecular Dynamics Study of C-Loop Closure and Channel Gating in Nicotinic Receptors
por: Cheng, Xiaolin, et al.
Publicado: (2006)

Molecular Dynamics Simulation Study of Conformational Changes of Transcription Factor TFIIS during RNA Polymerase II Transcriptional Arrest and Reactivation
por: Eun, Changsun, et al.
Publicado: (2014)

Different sucrose-isomaltase response of Caco-2 cells to glucose and maltose suggests dietary maltose sensing
por: Cheng, Min-Wen, et al.
Publicado: (2014)

Easy mammalian expression and crystallography of maltose-binding protein-fused human proteins
por: Bokhove, Marcel, et al.
Publicado: (2016)

Enhanced Conformational Space Sampling Improves the Prediction of Chemical Shifts in Proteins
por: Markwick, Phineus R. L., et al.
Publicado: (2010)

w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations
por: Arrar, Mehrnoosh, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_6cndv42q5kojj9e1o2n191715k