Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

Structure versus function—The impact of computational methods on the discovery of specific GPCR–ligands

(2015) Marcel Bermudez et al.   BIOORGANIC & MEDICINAL CHEMISTRY

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

(2015) Aashish Manglik et al.   CELL

The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes

(2015) Jérémie Mortier et al.   DRUG DISCOVERY TODAY

In SilicoPrediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations

(2015) Christin Rakers et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural Characteristics of the Allosteric Binding Site Represent a Key to Subtype Selective Modulators of Muscarinic Acetylcholine Receptors

(2015) Marcel Bermudez et al.   Molecular Informatics

Conformational dynamics of a class C G-protein-coupled receptor

(2015) Reza Vafabakhsh et al.   NATURE

Structural insights into µ-opioid receptor activation

(2015) Weijiao Huang et al.   NATURE

Propagation of conformational changes during μ-opioid receptor activation

(2015) Rémy Sounier et al.   NATURE

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

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

A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group

(2014) Yasuaki Anami et al.   JOURNAL OF MEDICINAL CHEMISTRY

Dualsteric Muscarinic Antagonists–Orthosteric Binding Pose Controls Allosteric Subtype Selectivity

(2014) Jens Schmitz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rational Design of Partial Agonists for the Muscarinic M1 Acetylcholine Receptor

(2014) Xinyu Chen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Pilot the pulse: controlling the multiplicity of receptor dynamics

(2014) Andreas Bock et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Fine tuning of sub-millisecond conformational dynamics controls metabotropic glutamate receptors agonist efficacy

(2014) Linnea Olofsson et al.   Nature Communications

Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network

(2014) Jerome C Nwachukwu et al.   eLife

The Dynamic Process of β2-Adrenergic Receptor Activation

(2013) Rie Nygaard et al.   CELL

Activation and allosteric modulation of a muscarinic acetylcholine receptor

(2013) Andrew C. Kruse et al.   NATURE

Molecular signatures of G-protein-coupled receptors

(2013) A. J. Venkatakrishnan et al.   NATURE

Ligand-binding dynamics rewire cellular signaling via estrogen receptor-α

(2013) Sathish Srinivasan et al.   Nature Chemical Biology

Dynamic ligand binding dictates partial agonism at a G protein–coupled receptor

(2013) Andreas Bock et al.   Nature Chemical Biology

Molecular Alliance-From Orthosteric and Allosteric Ligands to Dualsteric/Bitopic Agonists at G Protein Coupled Receptors

(2012) Klaus Mohr et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure-Function of the G Protein–Coupled Receptor Superfamily

(2012) Vsevolod Katritch et al.   Annual Review of Pharmacology and Toxicology

New concepts in pharmacological efficacy at 7TM receptors: IUPHAR Review 2

(2012) Terry Kenakin   BRITISH JOURNAL OF PHARMACOLOGY

Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist

(2012) Kazuko Haga et al.   NATURE

Crystal structure of the µ-opioid receptor bound to a morphinan antagonist

(2012) Aashish Manglik et al.   NATURE

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

(2012) Andreas Bock et al.   Nature Communications

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

Structure of a nanobody-stabilized active state of the β2 adrenoceptor

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

Structure and function of an irreversible agonist-β2 adrenoceptor complex

(2011) Daniel M. Rosenbaum 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

A Medicinal Chemist’s Guide to Molecular Interactions

(2010) Caterina Bissantz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Coupling of receptor conformation and ligand orientation determine graded activity

(2010) John B Bruning et al.   Nature Chemical Biology

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

Convergent, short synthesis of the muscarinic superagonist iperoxo

(2010) Jessica Kloeckner et al.   TETRAHEDRON LETTERS

Intermolecular hydrogen bonding interactions of furan, isoxazole and oxazole with water

(2010) Damanjit Kaur et al.   Computational and Theoretical Chemistry

The structure and function of G-protein-coupled receptors

(2009) Daniel M. Rosenbaum et al.   NATURE

Fine-tuning of GPCR activity by receptor-interacting proteins

(2009) Stefanie L. Ritter et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Dualsteric GPCR targeting: a novel route to binding and signaling pathway selectivity

(2008) Johannes Antony et al.   FASEB JOURNAL

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

(2008) Patrick Scheerer et al.   NATURE

Crystal structure of the ligand-free G-protein-coupled receptor opsin

(2008) Jung Hee Park et al.   NATURE

Molecule-pharmacophore superpositioning and pattern matching in computational drug design

(2007) G WOLBER   DRUG DISCOVERY TODAY