Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs

Discovery of G Protein-Biased D2 Dopamine Receptor Partial Agonists

(2016) Xin Chen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Backbone NMR reveals allosteric signal transduction networks in the β1-adrenergic receptor

(2016) Shin Isogai et al.   NATURE

Structure-based discovery of opioid analgesics with reduced side effects

(2016) Aashish Manglik et al.   NATURE

The role of kinetic context in apparent biased agonism at GPCRs

(2016) Carmen Klein Herenbrink et al.   Nature Communications

Structural insights into µ-opioid receptor activation

(2015) Weijiao Huang et al.   NATURE

PRESTO-Tango as an open-source resource for interrogation of the druggable human GPCRome

(2015) Wesley K Kroeze et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Effects of β-Arrestin-Biased Dopamine D2 Receptor Ligands on Schizophrenia-Like Behavior in Hypoglutamatergic Mice

(2015) Su M Park et al.   NEUROPSYCHOPHARMACOLOGY

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

PRESTO-Tango as an open-source resource for interrogation of the druggable human GPCRome

(2015) Wesley K Kroeze et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Identifying ligand-specific signalling within biased responses: focus on δ opioid receptor ligands

(2014) I Charfi et al.   BRITISH JOURNAL OF PHARMACOLOGY

Paramfit: Automated optimization of force field parameters for molecular dynamics simulations

(2014) Robin M. Betz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

SAMPL4 & DOCK3.7: lessons for automated docking procedures

(2014) Ryan G. Coleman et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Biased agonism of the μ-opioid receptor by TRV130 increases analgesia and reduces on-target adverse effects versus morphine: A randomized, double-blind, placebo-controlled, crossover study in healthy volunteers

(2014) David G. Soergel et al.   PAIN

Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists

(2014) Ralf C. Kling et al.   PLoS One

Biased ligands at G-protein-coupled receptors: promise and progress

(2014) Jonathan D. Violin et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor

(2013) Dahlia R. Weiss et al.   ACS Chemical Biology

The importance of interactions with helix 5 in determining the efficacy of β-adrenoceptor ligands

(2013) Tony Warne et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Biophysical Fragment Screening of the β1-Adrenergic Receptor: Identification of High Affinity Arylpiperazine Leads Using Structure-Based Drug Design

(2013) John A. Christopher et al.   JOURNAL OF MEDICINAL CHEMISTRY

β-Arrestin-Selective G Protein-Coupled Receptor Agonists Engender Unique Biological Efficacyin Vivo

(2013) Diane Gesty-Palmer et al.   MOLECULAR ENDOCRINOLOGY

Adrenaline-activated structure of β2-adrenoceptor stabilized by an engineered nanobody

(2013) Aaron M. Ring et al.   NATURE

Structural Basis for Molecular Recognition at Serotonin Receptors

(2013) C. Wang et al.   SCIENCE

Structural Features for Functional Selectivity at Serotonin Receptors

(2013) D. Wacker et al.   SCIENCE

Comparison of the Binding and Functional Properties of Two Structurally Different D2 Dopamine Receptor Subtype Selective Compounds

(2012) Robert R. Luedtke et al.   ACS Chemical Neuroscience

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Structure–Functional Selectivity Relationship Studies of β-Arrestin-Biased Dopamine D2 Receptor Agonists

(2012) Xin Chen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Automated design of ligands to polypharmacological profiles

(2012) Jérémy Besnard et al.   NATURE

A Simple Method for Quantifying Functional Selectivity and Agonist Bias

(2011) Terry Kenakin et al.   ACS Chemical Neuroscience

Structural insights into agonist-induced activation of G-protein-coupled receptors

(2011) Xavier Deupi et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The structural basis for agonist and partial agonist action on a β1-adrenergic receptor

(2011) Tony Warne et al.   NATURE

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

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

Emerging paradigms of β-arrestin-dependent seven transmembrane receptor signaling

(2011) Arun K. Shukla et al.   TRENDS IN BIOCHEMICAL SCIENCES

Selectively Engaging  -Arrestins at the Angiotensin II Type 1 Receptor Reduces Blood Pressure and Increases Cardiac Performance

(2010) J. D. Violin et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Discovery of a CXCR4 agonist pepducin that mobilizes bone marrow hematopoietic cells

(2010) B. Tchernychev et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

(2010) E. Y. T. Chien et al.   SCIENCE

Helix movement is coupled to displacement of the second extracellular loop in rhodopsin activation

(2009) Shivani Ahuja et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Antagonism of dopamine D2 receptor/ -arrestin 2 interaction is a common property of clinically effective antipsychotics

(2008) B. Masri et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

New G-protein-coupled receptor crystal structures: insights and limitations

(2008) B KOBILKA et al.   TRENDS IN PHARMACOLOGICAL SCIENCES