The Potential of 19F NMR Application in GPCR Biased Drug Discovery

Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-Gi Complex Structures

(2020) Tian Hua et al.   CELL

Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR

(2020) Laura M. Wingler et al.   SCIENCE

Impact of GPCR Structures on Drug Discovery

(2020) Miles Congreve et al.   CELL

An open-source drug discovery platform enables ultra-large virtual screens

(2020) Christoph Gorgulla et al.   NATURE

Structural basis of CXC chemokine receptor 2 activation and signalling

(2020) Kaiwen Liu et al.   NATURE

Structures of the 5-HT2A receptor in complex with the antipsychotics risperidone and zotepine

(2019) Kanako Terakado Kimura et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Bioluminescence resonance energy transfer–based imaging of protein–protein interactions in living cells

(2019) Hiroyuki Kobayashi et al.   Nature Protocols

19F Dynamic Nuclear Polarization at Fast Magic Angle Spinning for NMR of HIV-1 Capsid Protein Assemblies

(2019) Manman Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Peeking at G-protein-coupled receptors through the molecular dynamics keyhole

(2019) Giuseppe Deganutti et al.   Future Medicinal Chemistry

Automated De Novo Drug Design - “Are we nearly there yet?”

(2019) Gisbert Schneider et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nature-Derived Peptides: A Growing Niche for GPCR Ligand Discovery

(2019) Edin Muratspahić et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Disulfide‐Containing Detergents (DCDs) for the Structural Biology of Membrane Proteins

(2019) Dongxiang Xue et al.   CHEMISTRY-A EUROPEAN JOURNAL

Advances in cryo-electron tomography and subtomogram averaging and classification

(2019) Peijun Zhang   CURRENT OPINION IN STRUCTURAL BIOLOGY

A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset

(2019) Rosalia Pascual et al.   Frontiers in Pharmacology

Solution NMR: A powerful tool for structural and functional studies of membrane proteins in reconstituted environments

(2019) Robbins Puthenveetil et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Illuminating the Energy Landscape of GPCRs: The Key Contribution of Solution-State NMR Associated with Escherichia coli as an Expression Host

(2018) Marina Casiraghi et al.   BIOCHEMISTRY

Mini G protein probes for active G protein–coupled receptors (GPCRs) in live cells

(2018) Qingwen Wan et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Biased Agonism in Drug Discovery—Is It Too Soon to Choose a Path?

(2018) Martin C. Michel et al.   MOLECULAR PHARMACOLOGY

Structure of the alternative complex III in a supercomplex with cytochrome oxidase

(2018) Chang Sun et al.   NATURE

Biased signalling: from simple switches to allosteric microprocessors

(2018) Jeffrey S. Smith et al.   NATURE REVIEWS DRUG DISCOVERY

Structure and dynamics of GPCR signaling complexes

(2018) Daniel Hilger et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Mechanistic insights into allosteric regulation of the A2A adenosine G protein-coupled receptor by physiological cations

(2018) Libin Ye et al.   Nature Communications

Structure and dynamics of GPCR signaling complexes

(2018) Daniel Hilger et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor

(2018) Sébastien Igonet et al.   Scientific Reports

Recent Trends and Applications of Molecular Modeling in GPCR–Ligand Recognition and Structure-Based Drug Design

(2018) Xiaojing Yuan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor

(2018) Yi-Lynn Liang et al.   NATURE

Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor–Gs complex

(2018) Yi-Lynn Liang et al.   NATURE

Mechanisms of signalling and biased agonism in G protein-coupled receptors

(2018) Denise Wootten et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

A2A adenosine receptor functional states characterized by 19F-NMR

(2018) Lukas Sušac et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Functional selectivity profiling of the angiotensin II type 1 receptor using pathway-wide BRET signaling sensors

(2018) Yoon Namkung et al.   Science Signaling

An Adaptable Phospholipid Membrane Mimetic System for Solution NMR Studies of Membrane Proteins

(2017) Chih-Ta Henry Chien et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phase-plate cryo-EM structure of a class B GPCR–G-protein complex

(2017) Yi-Lynn Liang et al.   NATURE

Trends in GPCR drug discovery: new agents, targets and indications

(2017) Alexander S. Hauser et al.   NATURE REVIEWS DRUG DISCOVERY

Crystallogenesis of Membrane Proteins Mediated by Polymer-Bounded Lipid Nanodiscs

(2017) Jana Broecker et al.   STRUCTURE

Mini-G proteins: Novel tools for studying GPCRs in their active conformation

(2017) Rony Nehmé et al.   PLoS One

Identification of the First Marine-Derived Opioid Receptor “Balanced” Agonist with a Signaling Profile That Resembles the Endorphins

(2016) Tyler A. Johnson et al.   ACS Chemical Neuroscience

Biased agonism: An emerging paradigm in GPCR drug discovery

(2016) Zoran Rankovic et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Ligand-Dependent Modulation of G Protein Conformation Alters Drug Efficacy

(2016) Sebastian George Barton Furness et al.   CELL

GPCR Dynamics: Structures in Motion

(2016) Naomi R. Latorraca et al.   CHEMICAL REVIEWS

Ring current shifts in 19F-NMR of membrane proteins

(2016) Dongsheng Liu et al.   JOURNAL OF BIOMOLECULAR NMR

Role of Molecular Dynamics and Related Methods in Drug Discovery

(2016) Marco De Vivo et al.   JOURNAL OF MEDICINAL CHEMISTRY

The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes

(2016) G.C.P. van Zundert et al.   JOURNAL OF MOLECULAR BIOLOGY

Functional Modulation of a G Protein-Coupled Receptor Conformational Landscape in a Lipid Bilayer

(2016) Marina Casiraghi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Designing BRET-based conformational biosensors for G protein-coupled receptors

(2016) Rory Sleno et al.   METHODS

Activation of the A2A adenosine G-protein-coupled receptor by conformational selection

(2016) Libin Ye 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

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

(2016) Stefano Forli et al.   Nature Protocols

Detergent-free Isolation of Functional G Protein-Coupled Receptors into Nanometric Lipid Particles

(2015) Christel Logez et al.   BIOCHEMISTRY

G-protein coupled receptor solubilization and purification for biophysical analysis and functional studies, in the total absence of detergent

(2015) Mohammed Jamshad et al.   BIOSCIENCE REPORTS

Structural Insights into the Dynamic Process of β 2 -Adrenergic Receptor Signaling

(2015) Aashish Manglik et al.   CELL

A comparison of chemical shift sensitivity of trifluoromethyl tags: optimizing resolution in 19F NMR studies of proteins

(2015) Libin Ye et al.   JOURNAL OF BIOMOLECULAR NMR

Functional Dynamics of Deuterated β2-Adrenergic Receptor in Lipid Bilayers Revealed by NMR Spectroscopy

(2014) Yutaka Kofuku et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Covalent docking of large libraries for the discovery of chemical probes

(2014) Nir London et al.   Nature Chemical Biology

Dynamic bias and its implications for GPCR drug discovery

(2014) Martin C. Michel et al.   NATURE REVIEWS DRUG DISCOVERY

β2-Adrenergic Receptor Activation by Agonists Studied with19F NMR Spectroscopy

(2013) Reto Horst et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Role of Ligands on the Equilibria Between Functional States of a G Protein-Coupled Receptor

(2013) Tae Hun Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Signalling bias in new drug discovery: detection, quantification and therapeutic impact

(2013) Terry Kenakin et al.   NATURE REVIEWS DRUG DISCOVERY

Structural Features for Functional Selectivity at Serotonin Receptors

(2013) D. Wacker et al.   SCIENCE

Restructuring G-Protein- Coupled Receptor Activation

(2012) Martin Audet et al.   CELL

Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic

(2012) Aaron A. Thompson et al.   NATURE

Biased Signaling Pathways in  2-Adrenergic Receptor Characterized by 19F-NMR

(2012) J. J. Liu et al.   SCIENCE

Fragment Based Drug Discovery: Practical Implementation Based on 19F NMR Spectroscopy

(2011) John B. Jordan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Quantifying Ligand Bias at Seven-Transmembrane Receptors

(2011) S. Rajagopal et al.   MOLECULAR PHARMACOLOGY

Agonist-bound adenosine A2A receptor structures reveal common features of GPCR activation

(2011) Guillaume Lebon et al.   NATURE

Crystal structure of the β2 adrenergic receptor–Gs protein complex

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

SwissDock, a protein-small molecule docking web service based on EADock DSS

(2011) A. Grosdidier et al.   NUCLEIC ACIDS RESEARCH

Differential Signaling of the Endogenous Agonists at the β2-Adrenergic Receptor

(2010) Susanne Reiner et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Maltose–neopentyl glycol (MNG) amphiphiles for solubilization, stabilization and crystallization of membrane proteins

(2010) Pil Seok Chae et al.   NATURE METHODS

Seven Transmembrane Receptors as Shapeshifting Proteins: The Impact of Allosteric Modulation and Functional Selectivity on New Drug Discovery

(2010) T. Kenakin et al.   PHARMACOLOGICAL REVIEWS

High-Field Dynamic Nuclear Polarization for Solid and Solution Biological NMR

(2008) A. B. Barnes et al.   APPLIED MAGNETIC RESONANCE

Tomographic subvolume alignment and subvolume classification applied to myosin V and SIV envelope spikes

(2008) Hanspeter Winkler et al.   JOURNAL OF STRUCTURAL BIOLOGY

Perspectives on NMR in drug discovery: a technique comes of age

(2008) Maurizio Pellecchia et al.   NATURE REVIEWS DRUG DISCOVERY