The Hsp70 interdomain linker is a dynamic switch that enables allosteric communication between two structured domains

Perturbation–Response Scanning Reveals Key Residues for Allosteric Control in Hsp70

(2017) David Penkler et al.   Journal of Chemical Information and Modeling

Computational Analysis of Residue Interaction Networks and Coevolutionary Relationships in the Hsp70 Chaperones: A Community-Hopping Model of Allosteric Regulation and Communication

(2017) Gabrielle Stetz et al.   PLoS Computational Biology

An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back

(2016) Federica Chiappori et al.   Scientific Reports

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

(2015) Robert T. McGibbon et al.   BIOPHYSICAL JOURNAL

Human Hsp70 Disaggregase Reverses Parkinson’s-Linked α-Synuclein Amyloid Fibrils

(2015) Xuechao Gao et al.   MOLECULAR CELL

Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins

(2015) Gabrielle Stetz et al.   PLoS One

Clusters of isoleucine, leucine, and valine side chains define cores of stability in high-energy states of globular proteins: Sequence determinants of structure and stability

(2015) Sagar V. Kathuria et al.   PROTEIN SCIENCE

Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP

(2015) Jiao Yang et al.   STRUCTURE

Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket

(2014) Julia I-Ju Leu et al.   ACS Chemical Biology

The HSP70 family and cancer

(2013) M. E. Murphy   CARCINOGENESIS

Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP

(2013) Ruifeng Qi et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Inhibition of HSP70: A challenging anti-cancer strategy

(2012) Anastasia R. Goloudina et al.   CANCER LETTERS

An Interdomain Energetic Tug-of-War Creates the Allosterically Active State in Hsp70 Molecular Chaperones

(2012) Anastasia Zhuravleva et al.   CELL

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

(2012) Peter Eastman et al.   Journal of Chemical Theory and Computation

DnaJA1 Antagonizes Constitutive Hsp70-Mediated Stabilization of Tau

(2012) Jose F. Abisambra et al.   JOURNAL OF MOLECULAR BIOLOGY

Structure and Dynamics of the ATP-Bound Open Conformation of Hsp70 Chaperones

(2012) Roman Kityk et al.   MOLECULAR CELL

Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations

(2012) Federica Chiappori et al.   PLoS Computational Biology

How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

(2011) Stefano Piana et al.   BIOPHYSICAL JOURNAL

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Allosteric Drugs: The Interaction of Antitumor Compound MKT-077 with Human Hsp70 Chaperones

(2011) Aikaterini Rousaki et al.   JOURNAL OF MOLECULAR BIOLOGY

OpenMM: A Hardware-Independent Framework for Molecular Simulations

(2010) Peter Eastman et al.   COMPUTING IN SCIENCE & ENGINEERING

DnaK/DnaJ/GrpE of Hsp70 system have differing effects on α-synuclein fibrillation involved in Parkinson's disease

(2010) Atta Ahmad   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Heat Shock Protein 70 (Hsp70) as an Emerging Drug Target

(2010) Christopher G. Evans et al.   JOURNAL OF MEDICINAL CHEMISTRY

An interdomain sector mediating allostery in Hsp70 molecular chaperones

(2010) Robert G Smock et al.   Molecular Systems Biology

Chemical Manipulation of Hsp70 ATPase Activity Regulates Tau Stability

(2009) U. K. Jinwal et al.   JOURNAL OF NEUROSCIENCE

Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate

(2009) E. B. Bertelsen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Novel Main Chain Motif in Proteins Bridged by Cationic Groups: The Niche

(2008) Gilleain M. Torrance et al.   JOURNAL OF MOLECULAR BIOLOGY

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

β-Sheet capping: Signals that initiate and terminate β-sheet formation

(2007) Fahim FarzadFard et al.   JOURNAL OF STRUCTURAL BIOLOGY

Fuzzy complexes: polymorphism and structural disorder in protein–protein interactions

(2007) Peter Tompa et al.   TRENDS IN BIOCHEMICAL SCIENCES