Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant

Safety and efficacy of suvorexant during 1-year treatment of insomnia with subsequent abrupt treatment discontinuation: a phase 3 randomised, double-blind, placebo-controlled trial

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Structure of signaling-competent neurotensin receptor 1 obtained by directed evolution inEscherichia coli

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The hypocretins/orexins: integrators of multiple physiological functions

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Discovery and development of orexin receptor antagonists as therapeutics for insomnia

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Activation and allosteric modulation of a muscarinic acetylcholine receptor

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Structure of the agonist-bound neurotensin receptor

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

(2012) Aashish Manglik et al.   NATURE

Structure and dynamics of the M3 muscarinic acetylcholine receptor

(2012) Andrew C. Kruse et al.   NATURE

Chimeric, mutant orexin receptors show key interactions between orexin receptors, peptides and antagonists

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DSX: A Knowledge-Based Scoring Function for the Assessment of Protein–Ligand Complexes

(2011) Gerd Neudert et al.   Journal of Chemical Information and Modeling

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

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

Features and development ofCoot

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PHENIX: a comprehensive Python-based system for macromolecular structure solution

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Rapid Context-Dependent Ligand Desolvation in Molecular Docking

(2010) Michael M. Mysinger et al.   Journal of Chemical Information and Modeling

Discovery of the Dual Orexin Receptor Antagonist [(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the Treatment of Insomnia

(2010) Christopher D. Cox et al.   JOURNAL OF MEDICINAL CHEMISTRY

Mapping the Binding Pocket of Dual Antagonist Almorexant to Human Orexin 1 and Orexin 2 Receptors: Comparison with the Selective OX1 Antagonist SB-674042 and the Selective OX2 Antagonist N-Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylmethyl-acetamide (EMPA)

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Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor

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Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists

(2010) B. Wu et al.   SCIENCE

MolProbity: all-atom structure validation for macromolecular crystallography

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Conformational analysis of N,N-disubstituted-1,4-diazepane orexin receptor antagonists and implications for receptor binding

(2009) Christopher D. Cox et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Biochemical and behavioural characterization of EMPA, a novel high-affinity, selective antagonist for the OX2 receptor

(2009) P Malherbe et al.   BRITISH JOURNAL OF PHARMACOLOGY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystallizing membrane proteins using lipidic mesophases

(2009) Martin Caffrey et al.   Nature Protocols

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

Crystallizing Membrane Proteins for Structure Determination: Use of Lipidic Mesophases

(2008) Martin Caffrey   Annual Review of Biophysics

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

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