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Distinct antagonist-bound inactive states underlie the divergence in the structures of the dopamine D2 and D3 receptors

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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

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Structure-Based Drug Design for G Protein-Coupled Receptors

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How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

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MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

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Conservation of cys–cys trp structural triads and their geometry in the protein domains of immunoglobulin superfamily members

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[19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors

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GPCR Dynamics: Structures in Motion

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Exploring Substrate Binding in the Extracellular Vestibule of MhsT by Atomistic Simulations and Markov Models

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PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models

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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules

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Toward Understanding the Structural Basis of Partial Agonism at the Dopamine D3Receptor

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Molecular Determinants of the Intrinsic Efficacy of the Antipsychotic Aripiprazole

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The Fourth Transmembrane Segment of the Dopamine D2 Receptor: Accessibility in the Binding-Site Crevice and Position in the Transmembrane Bundle

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The First Transmembrane Segment of the Dopamine D2 Receptor: Accessibility in the Binding-Site Crevice and Position in the Transmembrane Bundle

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Clozapine, a Fast-Off-D2 Antipsychotic

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Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ 1 and χ 2 Dihedral Angles

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Automated Force Field Parameterization for Nonpolarizable and Polarizable Atomic Models Based on Ab Initio Target Data

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Improved Treatment of the Protein Backbone in Empirical Force Fields

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Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects

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Molecular Determinants of Selectivity and Efficacy at the Dopamine D3 Receptor

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Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory

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Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

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A new era of rationally designed antipsychotics

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

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Molecular signatures of G-protein-coupled receptors

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Structure-based discovery of opioid analgesics with reduced side effects

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Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone

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Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs

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A mechanism for intracellular release of Na+ by neurotransmitter/sodium symporters

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Structures of the 5-HT2A receptor in complex with the antipsychotics risperidone and zotepine

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Mechanisms of inverse agonist action at D2 dopamine receptors

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Structural basis for Na + -sensitivity in dopamine D2 and D3 receptors

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Constant pressure molecular dynamics simulation: The Langevin piston method

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Efficient Bayesian estimation of Markov model transition matrices with given stationary distribution

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The second extracellular loop of the dopamine D 2 receptor lines the binding-site crevice

inferredcites →https://doi.org/10.1074/jbc.m116.757153openalex-snapshot

The role of transmembrane segment 5 (TM5) in Na2 release and the conformational transition of neurotransmitter:sodium symporters toward the inward-open state

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Comparative protein structure modeling by iterative alignment, model building and model assessment

inferredcites →https://doi.org/10.1124/mol.113.087833openalex-snapshot

A Single Glycine in Extracellular Loop 1 Is the Critical Determinant for Pharmacological Specificity of Dopamine D2 and D3 Receptors

inferredcites →https://doi.org/10.1124/mol.113.090563openalex-snapshot

Discovery and Characterization of a G Protein–Biased Agonist That Inhibits β-Arrestin Recruitment to the D2 Dopamine Receptor

inferredcites →https://doi.org/10.1124/pr.114.009944openalex-snapshot

What Can Crystal Structures of Aminergic Receptors Tell Us about Designing Subtype-Selective Ligands?

inferredcites →https://doi.org/10.1126/science.1113801openalex-snapshot

Toward High-Resolution de Novo Structure Prediction for Small Proteins

inferredcites →https://doi.org/10.1126/science.1197410openalex-snapshot

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

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Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

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D4dopamine receptor high-resolution structures enable the discovery of selective agonists

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The Molecular Basis of G Protein–Coupled Receptor Activation

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The Multiplicity of Serotonin Receptors: Uselessly Diverse Molecules or an Embarrassment of Riches?

inferredcites →https://doi.org/10.1358/mf.2005.27.5.908643openalex-snapshot

Research on adverse drug events. I. Muscarinic M3 receptor binding affinity could predict the risk of antipsychotics to induce type 2 diabetes

inferredcites →https://doi.org/10.2152/jmi.52.284openalex-snapshot

Aripiprazole, a novel antipsychotic agent: Dopamine D2 receptor partial agonist

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Editorial: Computer Aided Structure-based Lead Optimization

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1021/acsmedchemlett.9b00660openalex-snapshot

Exception That Proves the Rule: Investigation of Privileged Stereochemistry in Designing Dopamine D3R Bitopic Agonists

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