Identifying ligands at orphan GPCRs: current status using structure-based approaches

The Concise Guide to PHARMACOLOGY 2015/16: G protein-coupled receptors

(2015) Stephen PH Alexander et al.   BRITISH JOURNAL OF PHARMACOLOGY

The Concise Guide to PHARMACOLOGY 2015/16: Enzymes

(2015) Stephen PH Alexander et al.   BRITISH JOURNAL OF PHARMACOLOGY

Efficacy and safety of fasiglifam (TAK-875), a G protein-coupled receptor 40 agonist, in Japanese patients with type 2 diabetes inadequately controlled by diet and exercise: a randomized, double-blind, placebo-controlled, phase III trial

(2015) K. Kaku et al.   DIABETES OBESITY & METABOLISM

Target selection for FDA-approved medicines

(2015) Michael S. Kinch et al.   DRUG DISCOVERY TODAY

From G Protein-coupled Receptor Structure Resolution to Rational Drug Design

(2015) Ali Jazayeri et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor

(2015) David Rodríguez et al.   Journal of Chemical Information and Modeling

Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65

(2015) Xi-Ping Huang et al.   NATURE

Methodological advances: the unsung heroes of the GPCR structural revolution

(2015) Eshan Ghosh et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Expression Atlas update—an integrated database of gene and protein expression in humans, animals and plants

(2015) Robert Petryszak et al.   NUCLEIC ACIDS RESEARCH

Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine

(2015) L. Qin et al.   SCIENCE

Computer-Aided Discovery of Aromatic l-α-Amino Acids as Agonists of the Orphan G Protein-Coupled Receptor GPR139

(2014) Vignir Isberg et al.   Journal of Chemical Information and Modeling

Impact of Template Choice on Homology Model Efficiency in Virtual Screening

(2014) Krzysztof Rataj et al.   Journal of Chemical Information and Modeling

High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875

(2014) Ankita Srivastava et al.   NATURE

Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain

(2014) Andrew S. Doré et al.   NATURE

Femtosecond crystallography of membrane proteins in the lipidic cubic phase

(2014) W. Liu et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES

Structure of a Class C GPCR Metabotropic Glutamate Receptor 1 Bound to an Allosteric Modulator

(2014) H. Wu et al.   SCIENCE

Structure-Based Discovery of Selective Serotonin 5-HT 1B Receptor Ligands

(2014) David Rodríguez et al.   STRUCTURE

Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges

(2014) Irina Kufareva et al.   STRUCTURE

GPCR-targeting nanobodies: attractive research tools, diagnostics, and therapeutics

(2014) Azra Mujić-Delić 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

Structure-Based and Fragment-Based GPCR Drug Discovery

(2013) Stephen P. Andrews et al.   ChemMedChem

Ligand-Optimized Homology Models of D1 and D2 Dopamine Receptors: Application for Virtual Screening

(2013) Marcin Kołaczkowski et al.   Journal of Chemical Information and Modeling

Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening

(2013) Ana Negri et al.   Journal of Chemical Information and Modeling

5-HT1A receptor pharmacophores to screen for off-target activity of α1-adrenoceptor antagonists

(2013) Tony Ngo et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A Strategy Combining Differential Low-Throughput Screening and Virtual Screening (DLS-VS) Accelerating the Discovery of new Modulators for the Orphan GPR34 Receptor

(2013) Constantino Diaz et al.   Molecular Informatics

Structure of class B GPCR corticotropin-releasing factor receptor 1

(2013) Kaspar Hollenstein et al.   NATURE

Structure of the human smoothened receptor bound to an antitumour agent

(2013) Chong Wang et al.   NATURE

Structure of the human glucagon class B G-protein-coupled receptor

(2013) Fai Yiu Siu et al.   NATURE

Molecular signatures of G-protein-coupled receptors

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

Emerging paradigms in GPCR allostery: implications for drug discovery

(2013) Denise Wootten et al.   NATURE REVIEWS DRUG DISCOVERY

The IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligands

(2013) Adam J. Pawson et al.   NUCLEIC ACIDS RESEARCH

Towards Improved Quality of GPCR Models by Usage of Multiple Templates and Profile-Profile Comparison

(2013) Dorota Latek et al.   PLoS One

GPR88 Reveals a Discrete Function of Primary Cilia as Selective Insulators of GPCR Cross-Talk

(2013) Aaron Marley et al.   PLoS One

GPR3 Stimulates Aβ Production via Interactions with APP and β-Arrestin2

(2013) Christopher D. Nelson et al.   PLoS One

Constitutive  -Opioid Receptor Activity Leads to Long-Term Endogenous Analgesia and Dependence

(2013) G. Corder et al.   SCIENCE

The fatty acid receptor FFA1/GPR40 a decade later: how much do we know?

(2013) Arturo D. Mancini et al.   TRENDS IN ENDOCRINOLOGY AND METABOLISM

Tools for GPCR drug discovery

(2012) Ru Zhang et al.   ACTA PHARMACOLOGICA SINICA

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

(2012) Terry Kenakin   BRITISH JOURNAL OF PHARMACOLOGY

Randomized, Double-Blind, Dose-Ranging Study of TAK-875, a Novel GPR40 Agonist, in Japanese Patients With Inadequately Controlled Type 2 Diabetes

(2012) K. Kaku et al.   DIABETES CARE

ALiBERO: Evolving a Team of Complementary Pocket Conformations Rather than a Single Leader

(2012) Manuel Rueda et al.   Journal of Chemical Information and Modeling

Current Assessment of Docking into GPCR Crystal Structures and Homology Models: Successes, Challenges, and Guidelines

(2012) Thijs Beuming et al.   Journal of Chemical Information and Modeling

Identification of Novel Adenosine A2A Receptor Antagonists by Virtual Screening

(2012) Christopher J. Langmead et al.   JOURNAL OF MEDICINAL CHEMISTRY

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

TAK-875 versus placebo or glimepiride in type 2 diabetes mellitus: a phase 2, randomised, double-blind, placebo-controlled trial

(2012) Charles F Burant et al.   LANCET

Patent watch

(2012) Charlotte Harrison   NATURE REVIEWS DRUG DISCOVERY

Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4

(2012) M. M. Mysinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Fusion Partner Toolchest for the Stabilization and Crystallization of G Protein-Coupled Receptors

(2012) Eugene Chun et al.   STRUCTURE

Molecular Mechanism of β-Arrestin-Biased Agonism at Seven-Transmembrane Receptors

(2011) Eric Reiter et al.   Annual Review of Pharmacology and Toxicology

G Protein–Coupled Receptor Deorphanizations

(2011) Olivier Civelli et al.   Annual Review of Pharmacology and Toxicology

Identification of the GPR55 Agonist Binding Site Using a Novel Set of High-Potency GPR55 Selective Ligands

(2011) Evangelia Kotsikorou et al.   BIOCHEMISTRY

GPCR-SSFE: A comprehensive database of G-protein-coupled receptor template predictions and homology models

(2011) Catherine L Worth et al.   BMC BIOINFORMATICS

Selective Orthosteric Free Fatty Acid Receptor 2 (FFA2) Agonists

(2011) Johannes Schmidt et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Cell Adhesion Receptor GPR133 Couples to GsProtein

(2011) Jens Bohnekamp et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

High Constitutive Activity Is an Intrinsic Feature of Ghrelin Receptor Protein

(2011) Marjorie Damian et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

In silico identification of new ligands for GPR17: a promising therapeutic target for neurodegenerative diseases

(2011) Ivano Eberini et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H1Receptor

(2011) Chris de Graaf et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis, and Biological Activity of Potent and Orally Available G Protein-Coupled Receptor 40 Agonists

(2011) Shinobu Sasaki et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

(2011) Guillaume Lebon et al.   NATURE

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

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

Crystal structure of the β2 adrenergic receptor–Gs protein complex

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

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

(2011) Jens Carlsson et al.   Nature Chemical Biology

Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment

(2011) Irina Kufareva et al.   STRUCTURE

From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling

(2011) Marijn P. A. Sanders et al.   MedChemComm

Discovery and SAR of a Series of Agonists at Orphan G Protein-Coupled Receptor 139

(2011) Feng Shi et al.   ACS Medicinal Chemistry Letters

Identification of novel species-selective agonists of the G-protein-coupled receptor GPR35 that promote recruitment of β-arrestin-2 and activate Gα13

(2010) Laura Jenkins et al.   BIOCHEMICAL JOURNAL

Altered Immune Response in Mice Deficient for the G Protein-coupled Receptor GPR34

(2010) Ines Liebscher et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structure-Based Discovery of Novel Chemotypes for Adenosine A2AReceptor Antagonists

(2010) Vsevolod Katritch et al.   JOURNAL OF MEDICINAL CHEMISTRY

Allostery at G Protein-Coupled Receptor Homo- and Heteromers: Uncharted Pharmacological Landscapes

(2010) N. J. Smith et al.   PHARMACOLOGICAL REVIEWS

Customizing G Protein-Coupled Receptor Models for Structure-Based Virtual Screening

(2009) Chris de Graaf et al.   CURRENT PHARMACEUTICAL DESIGN

Lipid G Protein-coupled Receptor Ligand Identification Using β-Arrestin PathHunter™ Assay

(2009) Hong Yin et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Crystallizing membrane proteins using lipidic mesophases

(2009) Martin Caffrey et al.   Nature Protocols

Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008

(2009) Mayako Michino et al.   NATURE REVIEWS DRUG DISCOVERY

Structure-based discovery of  2-adrenergic receptor ligands

(2009) P. Kolb et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

GPCR 3D homology models for ligand screening: Lessons learned from blind predictions of adenosine A2a receptor complex

(2009) Vsevolod Katritch et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The Orphan G Protein-Coupled Receptor 3 Modulates Amyloid-Beta Peptide Generation in Neurons

(2009) A. Thathiah et al.   SCIENCE

Flexible ligand docking to multiple receptor conformations: a practical alternative

(2008) Maxim Totrov et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores

(2008) Caterina Barillari et al.   Journal of Chemical Information and Modeling

Multiscale Monte Carlo Sampling of Protein Sidechains: Application to Binding Pocket Flexibility

(2008) Jerome Nilmeier et al.   Journal of Chemical Theory and Computation

Elucidation of signaling and functional activities of an orphan GPCR, GPR81

(2008) Hongfei Ge et al.   JOURNAL OF LIPID RESEARCH

Discovery of Novel Agonists and Antagonists of the Free Fatty Acid Receptor 1 (FFAR1) Using Virtual Screening

(2008) Irina G. Tikhonova et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Novel Human Histamine H4 Receptor Ligands by Large-Scale Structure-Based Virtual Screening

(2008) Róbert Kiss et al.   JOURNAL OF MEDICINAL CHEMISTRY

International Union of Pharmacology. LXXI. Free Fatty Acid Receptors FFA1, -2, and -3: Pharmacology and Pathophysiological Functions

(2008) L. A. Stoddart et al.   PHARMACOLOGICAL REVIEWS