Closely related, yet unique: Distinct homo- and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol

Mechanisms of Regulation of the Chemokine-Receptor Network

(2017) Martin Stone et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structural Analysis of Chemokine Receptor–Ligand Interactions

(2017) Marta Arimont et al.   JOURNAL OF MEDICINAL CHEMISTRY

Single-Molecule Imaging Demonstrates Ligand Regulation of the Oligomeric Status of CXCR4 in Living Cells

(2017) Jun Lao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modulation of Chemokine Receptor Function by Cholesterol: New Prospects for Pharmacological Intervention

(2017) Daniel F. Legler et al.   MOLECULAR PHARMACOLOGY

Excessive aggregation of membrane proteins in the Martini model

(2017) Matti Javanainen et al.   PLoS One

Interaction of lipids with the neurotensin receptor 1

(2016) Juan H. Bolivar et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Lipid interaction sites on channels, transporters and receptors: Recent insights from molecular dynamics simulations

(2016) George Hedger et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Exploration of bivalent ligands targeting putative mu opioid receptor and chemokine receptor CCR5 dimerization

(2016) Christopher K. Arnatt et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Exploring the Formation and the Structure of Synaptobrevin Oligomers in a Model Membrane

(2016) Jing Han et al.   BIOPHYSICAL JOURNAL

Interplay of G Protein-Coupled Receptors with the Membrane: Insights from Supra-Atomic Coarse Grain Molecular Dynamics Simulations

(2016) Xavier Periole   CHEMICAL REVIEWS

Interaction of G protein coupled receptors and cholesterol

(2016) Gerald Gimpl   CHEMISTRY AND PHYSICS OF LIPIDS

Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale

(2016) Matthieu Chavent et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Inflammation-Induced CCR7 Oligomers Form Scaffolds to Integrate Distinct Signaling Pathways for Efficient Cell Migration

(2016) Mark A. Hauser et al.   IMMUNITY

Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association

(2016) Jan Domański et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

(2016) Yi Zheng et al.   NATURE

Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation

(2016) Dean P. Staus et al.   NATURE

Activation mechanism of endothelin ETB receptor by endothelin-1

(2016) Wataru Shihoya et al.   NATURE

Intracellular allosteric antagonism of the CCR9 receptor

(2016) Christine Oswald et al.   NATURE

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Cholesterol-dependent Conformational Plasticity in GPCR Dimers

(2016) Xavier Prasanna et al.   Scientific Reports

Dynamic Cholesterol-Conditioned Dimerization of the G Protein Coupled Chemokine Receptor Type 4

(2016) Kristyna Pluhackova et al.   PLoS Computational Biology

Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model

(2016) Kristen A. Marino et al.   PLoS Computational Biology

Mechanism of allosteric regulation of β2-adrenergic receptor by cholesterol

(2016) Moutusi Manna et al.   eLife

Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors

(2016) Ramon Guixà-González et al.   Scientific Reports

Lipid modulation of early G protein-coupled receptor signalling events

(2015) Patricia M. Dijkman et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations

(2015) Jing Han et al.   BIOPHYSICAL JOURNAL

Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1

(2015) Jill E. Chrencik et al.   CELL

Structure of the Angiotensin Receptor Revealed by Serial Femtosecond Crystallography

(2015) Haitao Zhang et al.   CELL

High-Throughput Simulations of Dimer and Trimer Assembly of Membrane Proteins. The DAFT Approach

(2015) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

(2015) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Biomembranes in atomistic and coarse-grained simulations

(2015) Kristyna Pluhackova et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Two disparate ligand-binding sites in the human P2Y1 receptor

(2015) Dandan Zhang et al.   NATURE

The EMBL-EBI bioinformatics web and programmatic tools framework

(2015) Weizhong Li et al.   NUCLEIC ACIDS RESEARCH

Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine

(2015) L. Qin et al.   SCIENCE

Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association

(2015) Davide Provasi et al.   PLoS Computational Biology

Chemokines in tumor progression and metastasis

(2015) Purvaba J. Sarvaiya et al.   Oncotarget

Cholesterol Modulates the Dimer Interface of the β2-Adrenergic Receptor via Cholesterol Occupancy Sites

(2014) Xavier Prasanna et al.   BIOPHYSICAL JOURNAL

Bivalent Ligands Targeting Chemokine Receptor Dimerization: Molecular Design and Functional Studies

(2014) Christopher Arnatt et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

The chemokine CXC4 and CC2 receptors form homo- and heterooligomers that can engage their signaling G-protein effectors and βarrestin

(2014) Sylvain Armando et al.   FASEB JOURNAL

Structure of the human P2Y12 receptor in complex with an antithrombotic drug

(2014) Kaihua Zhang et al.   NATURE

Differential Stability of the Crystallographic Interfaces of Mu- and Kappa-Opioid Receptors

(2014) Jennifer M. Johnston et al.   PLoS One

Multiplex Detection of Homo- and Heterodimerization of G Protein-Coupled Receptors by Proximity Biotinylation

(2014) Elisabeth Steel et al.   PLoS One

CCR5/CD4/CXCR4 oligomerization prevents HIV-1 gp120IIIB binding to the cell surface

(2014) L. Martinez-Munoz et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Backbone cyclic helix mimetic of chemokine (C–C motif) receptor 2: A rational approach for inhibiting dimerization of G protein-coupled receptors

(2013) Mattan Hurevich et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Single-molecule imaging revealed dynamic GPCR dimerization

(2013) Rinshi S Kasai et al.   CURRENT OPINION IN CELL BIOLOGY

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models

(2013) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mixing MARTINI: Electrostatic Coupling in Hybrid Atomistic–Coarse-Grained Biomolecular Simulations

(2013) Tsjerk A. Wassenaar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular signatures of G-protein-coupled receptors

(2013) A. J. Venkatakrishnan et al.   NATURE

Analysis Tool Web Services from the EMBL-EBI

(2013) Hamish McWilliam et al.   NUCLEIC ACIDS RESEARCH

Structure of the CCR5 Chemokine Receptor-HIV Entry Inhibitor Maraviroc Complex

(2013) Q. Tan et al.   SCIENCE

Membrane Driven Spatial Organization of GPCRs

(2013) Sayan Mondal et al.   Scientific Reports

The role of cholesterol on the activity and stability of neurotensin receptor 1

(2012) Joanne Oates et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Chemokine receptor oligomerization: A further step toward chemokine function

(2012) Laura Martínez Muñoz et al.   IMMUNOLOGY LETTERS

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

Identification of Cholesterol Binding Sites in the Serotonin1A Receptor

(2012) Durba Sengupta et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural Determinants of the Supramolecular Organization of G Protein-Coupled Receptors in Bilayers

(2012) Xavier Periole et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors

(2012) Jennifer M. Johnston et al.   PLoS Computational Biology

Making Structural Sense of Dimerization Interfaces of Delta Opioid Receptor Homodimers

(2011) Jennifer M. Johnston et al.   BIOCHEMISTRY

Determining equilibrium constants for dimerization reactions from molecular dynamics simulations

(2011) Djurre H. De Jong et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega

(2011) F. Sievers et al.   Molecular Systems Biology

Application of G Protein-Coupled Receptor-Heteromer Identification Technology to Monitor β-Arrestin Recruitment to G Protein-Coupled Receptor Heteromers

(2010) Heng B. See et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Identification of cholesterol recognition amino acid consensus (CRAC) motif in G-protein coupled receptors

(2010) Md. Jafurulla et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Lessons from Free Energy Simulations of δ-Opioid Receptor Homodimers Involving the Fourth Transmembrane Helix

(2010) Davide Provasi et al.   BIOCHEMISTRY

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists

(2010) B. Wu et al.   SCIENCE

G protein-coupled receptor hetero-dimerization: contribution to pharmacology and function

(2009) Graeme Milligan   BRITISH JOURNAL OF PHARMACOLOGY

Ligand-independent higher-order multimerization of CXCR4, a G-protein-coupled chemokine receptor involved in targeted metastasis

(2009) Makiko Hamatake et al.   CANCER SCIENCE

Hetero-oligomerization of CCR2, CCR5, and CXCR4 and the Protean Effects of “Selective” Antagonists

(2009) Denis Sohy et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition

(2009) Xavier Periole et al.   Journal of Chemical Theory and Computation

Combining Molecular Dynamics with Bayesian Analysis To Predict and Evaluate Ligand-Binding Mutations in Influenza Hemagglutinin

(2009) Peter M. Kasson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The structure and function of G-protein-coupled receptors

(2009) Daniel M. Rosenbaum et al.   NATURE

Modulation of chemokine receptor activity through dimerization and crosstalk

(2008) C. L. Salanga et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Dimerization of chemokine receptors in living cells: key to receptor function and novel targets for therapy

(2008) Jinhai Wang et al.   DRUG DISCOVERY TODAY

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

Fluorescence Resonance Energy Transfer Imaging Reveals that Chemokine-Binding Modulates Heterodimers of CXCR4 and CCR5 Receptors

(2008) Nilgun Isik et al.   PLoS One

CXCR4-CCR5: A couple modulating T cell functions

(2008) R. L. Contento et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA