Structures of β1-adrenergic receptor in complex with Gs and ligands of different efficacies

Structural insights into the human D1 and D2 dopamine receptor signaling complexes

(2021) Youwen Zhuang et al.   CELL

Structural insights into the lipid and ligand regulation of serotonin receptors

(2021) Peiyu Xu et al.   NATURE

Positive allosteric mechanisms of adenosine A1 receptor-mediated analgesia

(2021) Christopher J. Draper-Joyce et al.   NATURE

Structural equilibrium underlying ligand-dependent activation of β2-adrenoreceptor

(2020) Shunsuke Imai et al.   Nature Chemical Biology

Conformational plasticity of ligand-bound and ternary GPCR complexes studied by 19F NMR of the β1-adrenergic receptor

(2020) J. Niclas Frei et al.   Nature Communications

A high-resolution description of β1-adrenergic receptor functional dynamics and allosteric coupling from backbone NMR

(2020) Anne Grahl et al.   Nature Communications

Structural Basis of the Activation of Heterotrimeric Gs-Protein by Isoproterenol-Bound β1-Adrenergic Receptor

(2020) Minfei Su et al.   MOLECULAR CELL

Improvement of cryo-EM maps by density modification

(2020) Thomas C. Terwilliger et al.   NATURE METHODS

Different conformational responses of the β2-adrenergic receptor-Gs complex upon binding of the partial agonist salbutamol or the full agonist isoprenaline

(2020) Fan Yang et al.   National Science Review

Cryo-EM structures of GPCRs coupled to Gs, Gi and Go

(2019) Javier García-Nafría et al.   MOLECULAR AND CELLULAR ENDOCRINOLOGY

Molecular basis for high-affinity agonist binding in GPCRs

(2019) Tony Warne et al.   SCIENCE

Mechanistic Insights into Specific G Protein Interactions with Adenosine Receptors

(2019) Jinan Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The role of NMR spectroscopy in mapping the conformational landscape of GPCRs

(2019) Mark J Bostock et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The nature of efficacy at G protein-coupled receptors

(2019) Peishen Zhao et al.   BIOCHEMICAL PHARMACOLOGY

FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules

(2019) Anmol Kumar et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Common activation mechanism of class A GPCRs

(2019) Qingtong Zhou et al.   eLife

The Molecular Basis of G Protein–Coupled Receptor Activation

(2018) William I. Weis et al.   Annual Review of Biochemistry

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor

(2018) Yinglong Miao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Real-space refinement in PHENIX for cryo-EM and crystallography

(2018) Pavel V. Afonine et al.   Acta Crystallographica Section D-Structural Biology

New tools for automated high-resolution cryo-EM structure determination in RELION-3

(2018) Jasenko Zivanov et al.   eLife

MotionCor2: anisotropic correction of beam-induced motion for improved cryo-electron microscopy

(2017) Shawn Q Zheng et al.   NATURE METHODS

cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination

(2017) Ali Punjani et al.   NATURE METHODS

Insight into partial agonism by observing multiple equilibria for ligand-bound and Gs-mimetic nanobody-bound β1-adrenergic receptor

(2017) Andras S. Solt et al.   Nature Communications

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

(2016) Shin Isogai et al.   NATURE

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

(2016) Libin Ye et al.   NATURE

Allosteric coupling from G protein to the agonist-binding pocket in GPCRs

(2016) Brian T. DeVree et al.   NATURE

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

(2016) Jing Huang et al.   NATURE METHODS

Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor

(2016) Yinglong Miao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

(2015) K. Vanommeslaeghe et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

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

(2015) Aashish Manglik et al.   CELL

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

(2015) Yinglong Miao et al.   Journal of Chemical Theory and Computation

CTFFIND4: Fast and accurate defocus estimation from electron micrographs

(2015) Alexis Rohou et al.   JOURNAL OF STRUCTURAL BIOLOGY

Arresting developments in receptor signalling

(2015) Jeffrey L. Benovic   NATURE

Propagation of conformational changes during μ-opioid receptor activation

(2015) Rémy Sounier et al.   NATURE

Structural basis for nucleotide exchange in heterotrimeric G proteins

(2015) R. O. Dror et al.   SCIENCE

Pivotal Role of Extended Linker 2 in the Activation of Gα by G Protein-coupled Receptor

(2014) Jianyun Huang et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation

(2014) Yinglong Miao et al.   Journal of Chemical Theory and Computation

The Dynamic Process of β2-Adrenergic Receptor Activation

(2013) Rie Nygaard et al.   CELL

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

Crystal structure of oligomeric β1-adrenergic G protein–coupled receptors in ligand-free basal state

(2013) Jianyun Huang et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

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

Efficacy of the β2-adrenergic receptor is determined by conformational equilibrium in the transmembrane region

(2012) Yutaka Kofuku et al.   Nature Communications

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

Activation mechanism of the  2-adrenergic receptor

(2011) R. O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Transmembrane signaling by GPCRs: Insight from rhodopsin and opsin structures

(2010) Hui-Woog Choe et al.   NEUROPHARMACOLOGY

A Full Pharmacological Analysis of the Three Turkey β-Adrenoceptors and Comparison with the Human β-Adrenoceptors

(2010) Jillian G. Baker   PLoS One

The effect of ligand efficacy on the formation and stability of a GPCR-G protein complex

(2009) X. J. Yao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of a β1-adrenergic G-protein-coupled receptor

(2008) Tony Warne et al.   NATURE