The Dynamics of the Neuropeptide Y Receptor Type 1 Investigated by Solid-State NMR and Molecular Dynamics Simulation

Structure of the neurotensin receptor 1 in complex with β-arrestin 1

(2020) Weijiao Huang et al.   NATURE

Structure of the M2 muscarinic receptor–β-arrestin complex in a lipid nanodisc

(2020) Dean P. Staus 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 Conserved Proline Hinge Mediates Helix Dynamics and Activation of Rhodopsin

(2020) Andreyah L. Pope et al.   STRUCTURE

The Conformational Equilibrium of the Neuropeptide Y2 Receptor in Bilayer Membranes

(2020) Ulrike Krug et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Analysis of β2AR-Gs and β2AR-Gi complex formation by NMR spectroscopy

(2020) Xiuyan Ma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode

(2020) Yuki Shiimura et al.   Nature Communications

Modulating Hinge Flexibility in the APP Transmembrane Domain Alters γ-Secretase Cleavage

(2019) Alexander Götz et al.   BIOPHYSICAL JOURNAL

Conformational transitions of a neurotensin receptor 1–Gi1 complex

(2019) Hideaki E. Kato et al.   NATURE

Allosteric Coupling of Drug Binding and Intracellular Signaling in the A 2A Adenosine Receptor

(2018) Matthew T. Eddy et al.   CELL

Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor

(2018) Zhenlin Yang et al.   NATURE

CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans

(2018) Jumin Lee et al.   Journal of Chemical Theory and Computation

GPCR drug discovery: integrating solution NMR data with crystal and cryo-EM structures

(2018) Ichio Shimada et al.   NATURE REVIEWS DRUG DISCOVERY

MDsrv: viewing and sharing molecular dynamics simulations on the web

(2017) Johanna K S Tiemann et al.   NATURE METHODS

Expression, Functional Characterization and Solid-State NMR Investigation of the G Protein-Coupled GHS Receptor in Bilayer Membranes

(2017) Stefanie Schrottke et al.   Scientific Reports

CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field

(2016) Jumin Lee et al.   BIOPHYSICAL JOURNAL

GPCR Dynamics: Structures in Motion

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

Labeling and Single-Molecule Methods To Monitor G Protein-Coupled Receptor Dynamics

(2016) He Tian et al.   CHEMICAL REVIEWS

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

SL2: an interactive webtool for modeling of missing segments in proteins

(2016) Jochen Ismer et al.   NUCLEIC ACIDS RESEARCH

Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y2Receptor Binding and Activation

(2015) Anette Kaiser et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The dynamics of the G protein-coupled neuropeptide Y2 receptor in monounsaturated membranes investigated by solid-state NMR spectroscopy

(2015) Lars Thomas et al.   JOURNAL OF BIOMOLECULAR NMR

Accurately modeling nanosecond protein dynamics requires at least microseconds of simulation

(2015) Gregory R. Bowman   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural Dynamics and Thermostabilization of Neurotensin Receptor 1

(2015) Sangbae Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The G-Protein-Coupled Neuropeptide Y Receptor Type 2 is Highly Dynamic in Lipid Membranes as Revealed by Solid-State NMR Spectroscopy

(2014) Peter Schmidt et al.   CHEMISTRY-A EUROPEAN JOURNAL

The role of protein dynamics in GPCR function: insights from the β2AR and rhodopsin

(2014) Aashish Manglik et al.   CURRENT OPINION IN CELL BIOLOGY

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Conformational Dynamics of a Seven Transmembrane Helical Protein Anabaena Sensory Rhodopsin Probed by Solid-State NMR

(2014) Daryl B. Good et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Position of Transmembrane Helix 6 Determines Receptor G Protein Coupling Specificity

(2014) Alexander S. Rose et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cholesterol’s Aliphatic Side Chain Modulates Membrane Properties

(2013) Holger A. Scheidt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Structural Basis of G-Protein-Coupled Receptor Signaling (Nobel Lecture)

(2013) Brian Kobilka   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

G-protein-coupled receptor structure, ligand binding and activation as studied by solid-state NMR spectroscopy

(2013) Xiaoyan Ding et al.   BIOCHEMICAL JOURNAL

The Dynamic Process of β2-Adrenergic Receptor Activation

(2013) Rie Nygaard et al.   CELL

Precision vs Flexibility in GPCR signaling

(2013) Matthias Elgeti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

(2013) Kai J. Kohlhoff et al.   Nature Chemistry

Neuropeptide Y receptors: how to get subtype selectivity

(2013) Xavier Pedragosa-Badia et al.   Frontiers in Endocrinology

Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

(2012) W. Liu et al.   SCIENCE

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

(2012) J. J. Liu et al.   SCIENCE

Local and Global Dynamics of the G Protein-Coupled Receptor CXCR1

(2011) Sang Ho Park et al.   BIOCHEMISTRY

Molecular Dynamics of Proteorhodopsin in Lipid Bilayers by Solid-State NMR

(2011) Jun Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

A reconstitution protocol for the in vitro folded human G protein-coupled Y2 receptor into lipid environment

(2010) Peter Schmidt et al.   BIOPHYSICAL CHEMISTRY

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

Energy Landscapes as a Tool to Integrate GPCR Structure, Dynamics, and Function

(2010) Xavier Deupi et al.   PHYSIOLOGY

Backbone conformational flexibility of the lipid modified membrane anchor of the human N-Ras protein investigated by solid-state NMR and molecular dynamics simulation

(2009) Alexander Vogel et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

Prokaryotic expression, in vitro folding, and molecular pharmacological characterization of the neuropeptide Y receptor type 2

(2009) Peter Schmidt et al.   BIOTECHNOLOGY PROGRESS

The Shape of Motile Cells

(2009) Alex Mogilner et al.   CURRENT BIOLOGY

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A G protein-coupled receptor at work: the rhodopsin model

(2009) Klaus Peter Hofmann et al.   TRENDS IN BIOCHEMICAL SCIENCES

Ligand binding and micro-switches in 7TM receptor structures

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

Intermediate motions as studied by solid-state separated local field NMR experiments

(2008) Eduardo Ribeiro deAzevedo et al.   JOURNAL OF CHEMICAL PHYSICS

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Lipid−Rhodopsin Hydrophobic Mismatch Alters Rhodopsin Helical Content

(2008) Olivier Soubias et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2008) Patrick Scheerer et al.   NATURE