Signaling within Allosteric Machines: Signal Transmission Pathways Inside G Protein-Coupled Receptors

Core engagement with β-arrestin is dispensable for agonist-induced vasopressin receptor endocytosis and ERK activation

(2017) Punita Kumari et al.   MOLECULAR BIOLOGY OF THE CELL

Residues W320 and Y328 within the binding site of the μ-opioid receptor influence opiate ligand bias

(2017) J. Daniel Hothersall et al.   NEUROPHARMACOLOGY

Activation mechanism of the G protein-coupled sweet receptor heterodimer with sweeteners and allosteric agonists

(2017) Soo-Kyung Kim et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structure of the adenosine A2Areceptor bound to an antagonist reveals a potential allosteric pocket

(2017) Bingfa Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors

(2016) Yi Shang et al.   ACS Chemical Biology

Receptor Activity-Modifying Proteins (RAMPs): New Insights and Roles

(2016) Debbie L. Hay et al.   Annual Review of Pharmacology and Toxicology

G Protein–Coupled Receptor Heteromers

(2016) Ivone Gomes et al.   Annual Review of Pharmacology and Toxicology

How Oliceridine (TRV-130) Binds and Stabilizes a μ-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways

(2016) Sebastian Schneider et al.   BIOCHEMISTRY

Ultraslow Water-Mediated Transmembrane Interactions Regulate the Activation of A 2A Adenosine Receptor

(2016) Yoonji Lee et al.   BIOPHYSICAL JOURNAL

Quaternary structure of a G-protein-coupled receptor heterotetramer in complex with Gi and Gs

(2016) Gemma Navarro et al.   BMC BIOLOGY

Dynamic Regulation of Quaternary Organization of the M1Muscarinic Receptor by Subtype-selective Antagonist Drugs

(2016) John D. Pediani et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Interplay between Two Allosteric Sites and Their Influence on Agonist Binding in Human μ Opioid Receptor

(2016) Damian Bartuzi et al.   Journal of Chemical Information and Modeling

Conserved Mechanism of Conformational Stability and Dynamics in G-Protein-Coupled Receptors

(2016) Supriyo Bhattacharya et al.   Journal of Chemical Theory and Computation

Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions

(2016) Fotis A. Baltoumas et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The dopamine D2 receptor dimer and its interaction with homobivalent antagonists: homology modeling, docking and molecular dynamics

(2016) Agnieszka A. Kaczor et al.   JOURNAL OF MOLECULAR MODELING

Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

(2016) Yi Zheng et al.   NATURE

Intracellular allosteric antagonism of the CCR9 receptor

(2016) Christine Oswald et al.   NATURE

Structure-based discovery of opioid analgesics with reduced side effects

(2016) Aashish Manglik et al.   NATURE

Diverse activation pathways in class A GPCRs converge near the G-protein-coupling region

(2016) A. J. Venkatakrishnan et al.   NATURE

Mechanism of Assembly and Cooperativity of Homomeric and Heteromeric Metabotropic Glutamate Receptors

(2016) Joshua Levitz et al.   NEURON

Investigation of allosteric coupling in human β2-adrenergic receptor in the presence of intracellular loop 3

(2016) Canan Ozgur et al.   BMC STRUCTURAL BIOLOGY

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

Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations

(2016) Samuel Hertig et al.   PLoS Computational Biology

Basic Pharmacological and Structural Evidence for Class A G-Protein-Coupled Receptor Heteromerization

(2016) Rafael Franco et al.   Frontiers in Pharmacology

Thematic Minireview Series: New Directions in G Protein-coupled Receptor Pharmacology

(2015) Henrik G. Dohlman   JOURNAL OF BIOLOGICAL CHEMISTRY

Activation and Allosteric Modulation of Human μ Opioid Receptor in Molecular Dynamics

(2015) Damian Bartuzi et al.   Journal of Chemical Information and Modeling

Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile)

(2015) John A. Christopher et al.   JOURNAL OF MEDICINAL CHEMISTRY

Propagation of conformational changes during μ-opioid receptor activation

(2015) Rémy Sounier et al.   NATURE

Dual agonist occupancy of AT1-R–α2C-AR heterodimers results in atypical Gs-PKA signaling

(2015) Morgane Bellot et al.   Nature Chemical Biology

Targeting β-arrestin2 in the treatment of l-DOPA–induced dyskinesia in Parkinson’s disease

(2015) Nikhil M. Urs et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Generic GPCR residue numbers – aligning topology maps while minding the gaps

(2015) Vignir Isberg et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Communication over the Network of Binary Switches Regulates the Activation of A2A Adenosine Receptor

(2015) Yoonji Lee et al.   PLoS Computational Biology

μ–δ opioid receptor heteromer-specific signaling in the striatum and hippocampus

(2014) Noufissa Kabli et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

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

(2014) Xavier Prasanna et al.   BIOPHYSICAL JOURNAL

Differences in Allosteric Communication Pipelines in the Inactive and Active States of a GPCR

(2014) Supriyo Bhattacharya et al.   BIOPHYSICAL JOURNAL

Recent computational advances in the identification of allosteric sites in proteins

(2014) Shaoyong Lu et al.   DRUG DISCOVERY TODAY

Tyrosine 308 Is Necessary for Ligand-directed GsProtein-biased Signaling of β2-Adrenoceptor

(2014) Anthony Yiu-Ho Woo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Single Molecule Analysis of Functionally Asymmetric G Protein-coupled Receptor (GPCR) Oligomers Reveals Diverse Spatial and Structural Assemblies

(2014) Kim C. Jonas et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Functional Water Molecules in Rhodopsin Activation

(2014) Xianqiang Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Application of BRET for Studying G Protein-Coupled Receptors

(2014) Agnieszka Kaczor et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain

(2014) Andrew S. Doré et al.   NATURE

Molecular control of δ-opioid receptor signalling

(2014) Gustavo Fenalti et al.   NATURE

Major ligand-induced rearrangement of the heptahelical domain interface in a GPCR dimer

(2014) Li Xue et al.   Nature Chemical Biology

The 2.1 Å Resolution Structure of Cyanopindolol-Bound β1-Adrenoceptor Identifies an Intramembrane Na+ Ion that Stabilises the Ligand-Free Receptor

(2014) Jennifer L. Miller-Gallacher et al.   PLoS One

Disruption of the Na+ion binding site as a mechanism for positive allosteric modulation of the mu-opioid receptor

(2014) Kathryn E. Livingston et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of a Class C GPCR Metabotropic Glutamate Receptor 1 Bound to an Allosteric Modulator

(2014) H. Wu et al.   SCIENCE

Allosteric sodium in class A GPCR signaling

(2014) Vsevolod Katritch et al.   TRENDS IN BIOCHEMICAL SCIENCES

Activation of G-protein-coupled receptors correlates with the formation of a continuous internal water pathway

(2014) Shuguang Yuan et al.   Nature Communications

The Role of Water and Sodium Ions in the Activation of the μ-Opioid Receptor

(2013) Shuguang Yuan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Retinal Ligand Mobility Explains Internal Hydration and Reconciles Active Rhodopsin Structures

(2013) Nicholas Leioatts et al.   BIOCHEMISTRY

Transactivation of the PAR1-PAR2 Heterodimer by Thrombin Elicits β-Arrestin-mediated Endosomal Signaling

(2013) Huilan Lin et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Activation and allosteric modulation of a muscarinic acetylcholine receptor

(2013) Andrew C. Kruse et al.   NATURE

ASD v2.0: updated content and novel features focusing on allosteric regulation

(2013) Zhimin Huang et al.   NUCLEIC ACIDS RESEARCH

Activation and dynamic network of the M2 muscarinic receptor

(2013) Y. Miao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mapping the intramolecular signal transduction of G-protein coupled receptors

(2013) Yoonji Lee et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

(2013) Q. Tan et al.   SCIENCE

Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53

(2013) Christopher D. Wassman et al.   Nature Communications

Using Ligand-Mapping Simulations to Design a Ligand Selectively Targeting a Cryptic Surface Pocket of Polo-Like Kinase 1

(2012) Yaw Sing Tan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oligomerization of G Protein-Coupled Receptors: Computational Methods

(2012) J. Selent et al.   CURRENT MEDICINAL CHEMISTRY

Oligomerization of G Protein-Coupled Receptors: Biochemical and Biophysical Methods

(2012) A.A. Kaczor et al.   CURRENT MEDICINAL CHEMISTRY

Action of Molecular Switches in GPCRs - Theoretical and Experimental Studies

(2012) B. Trzaskowski et al.   CURRENT MEDICINAL CHEMISTRY

Stimulus Bias Provides Evidence for Conformational Constraints in the Structure of a G Protein-coupled Receptor

(2012) Karen J. Gregory et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules

(2012) Ahmet Bakan et al.   Journal of Chemical Theory and Computation

High-resolution crystal structure of human protease-activated receptor 1

(2012) Cheng Zhang et al.   NATURE

Apo-Ghrelin Receptor Forms Heteromers with DRD2 in Hypothalamic Neurons and Is Essential for Anorexigenic Effects of DRD2 Agonism

(2012) Andras Kern et al.   NEURON

Receptor Heteromerization Expands the Repertoire of Cannabinoid Signaling in Rodent Neurons

(2012) Raphael Rozenfeld et al.   PLoS One

Anti-inflammatory lipoxin A4 is an endogenous allosteric enhancer of CB1 cannabinoid receptor

(2012) F. A. Pamplona et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Distinct roles of metabotropic glutamate receptor dimerization in agonist activation and G-protein coupling

(2012) D. El Moustaine et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

(2012) W. Liu et al.   SCIENCE

Sequential Conformational Rearrangements Dictate the Dynamics of Class C GPCR Activation

(2012) J. R. Lane et al.   Science Signaling

Sequential Inter- and Intrasubunit Rearrangements During Activation of Dimeric Metabotropic Glutamate Receptor 1

(2012) V. Hlavackova et al.   Science Signaling

The allosteric vestibule of a seven transmembrane helical receptor controls G-protein coupling

(2012) Andreas Bock et al.   Nature Communications

Circadian-Related Heteromerization of Adrenergic and Dopamine D4 Receptors Modulates Melatonin Synthesis and Release in the Pineal Gland

(2012) Sergio González et al.   PLOS BIOLOGY

Regulation of GPCR activity, trafficking and localization by GPCR-interacting proteins

(2011) Ana C Magalhaes et al.   BRITISH JOURNAL OF PHARMACOLOGY

Crystal structure of the β2 adrenergic receptor–Gs protein complex

(2011) Søren G. F. Rasmussen et al.   NATURE

Trends in the exploitation of novel drug targets

(2011) Mathias Rask-Andersen et al.   NATURE REVIEWS DRUG DISCOVERY

Functional crosstalk and heteromerization of serotonin 5-HT2A and dopamine D2 receptors

(2011) Laura Albizu et al.   NEUROPHARMACOLOGY

Past, present and future of A2A adenosine receptor antagonists in the therapy of Parkinson's disease

(2011) Marie Therese Armentero et al.   PHARMACOLOGY & THERAPEUTICS

Discovery of  -Arrestin-Biased Dopamine D2 Ligands for Probing Signal Transduction Pathways Essential for Antipsychotic Efficacy

(2011) J. A. Allen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

GPCR Interacting Proteins (GIPs) in the Nervous System: Roles in Physiology and Pathologies

(2010) Joël Bockaert et al.   Annual Review of Pharmacology and Toxicology

Dimerization and ligand binding affect the structure network of A2A adenosine receptor

(2010) Francesca Fanelli et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Agonists at the δ-opioid receptor modify the binding of µ-receptor agonists to the µ-δ receptor hetero-oligomer

(2010) N Kabli et al.   BRITISH JOURNAL OF PHARMACOLOGY

Mapping the Druggable Allosteric Space of G-Protein Coupled Receptors: a Fragment-Based Molecular Dynamics Approach

(2010) Anthony Ivetac et al.   Chemical Biology & Drug Design

Monomeric Rhodopsin Is Sufficient for Normal Rhodopsin Kinase (GRK1) Phosphorylation and Arrestin-1 Binding

(2010) Timothy H. Bayburt et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Monomeric Rhodopsin Is the Minimal Functional Unit Required for Arrestin Binding

(2010) Hisao Tsukamoto et al.   JOURNAL OF MOLECULAR BIOLOGY

The endocannabinoid 2-arachidonylglycerol is a negative allosteric modulator of the human A3 adenosine receptor

(2009) J. Robert Lane et al.   BIOCHEMICAL PHARMACOLOGY

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

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

Purification and Functional Reconstitution of Monomeric μ-Opioid Receptors

(2009) Adam J. Kuszak et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT2AComplex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions

(2009) Agostino Bruno et al.   Journal of Chemical Information and Modeling

Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles

(2009) Christopher L. McClendon et al.   Journal of Chemical Theory and Computation

Ligand binding and micro-switches in 7TM receptor structures

(2009) Rie Nygaard et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Ligand stabilization of CXCR4/δ-opioid receptor heterodimers reveals a mechanism for immune response regulation

(2008) Oscar M. Pello et al.   EUROPEAN JOURNAL OF IMMUNOLOGY

Crystal structure of opsin in its G-protein-interacting conformation

(2008) Patrick Scheerer et al.   NATURE

Identification of a serotonin/glutamate receptor complex implicated in psychosis

(2008) Javier González-Maeso et al.   NATURE

μ opioid and CB1 cannabinoid receptor interactions: reciprocal inhibition of receptor signaling and neuritogenesis

(2006) Carl Rios et al.   BRITISH JOURNAL OF PHARMACOLOGY