(Q53437310)

14 May 2018

title

Modeling GPCR active state conformations: the β(2)-adrenergic receptor. (English)

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14 May 2018

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Lisa M Simpson

1

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14 May 2018

Ian D Wall

series ordinal

2

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14 May 2018

Frank E Blaney

series ordinal

3

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14 May 2018

Christopher A Reynolds

series ordinal

4

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14 May 2018

language of work or name

English

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publication date

18 February 2011

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14 May 2018

published in

Proteins

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14 May 2018

volume

79

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14 May 2018

issue

5

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14 May 2018

page(s)

1441-1457

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14 May 2018

Structural diversity of G protein-coupled receptors and significance for drug discovery

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Conformations of the active and inactive states of opsin

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Fenoterol: a beta2-adrenergic agonist for use in asthma. Pharmacology, pharmacokinetics, clinical efficacy and adverse effects

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High-resolution distance mapping in rhodopsin reveals the pattern of helix movement due to activation

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Role of the conserved NPxxY(x)5,6F motif in the rhodopsin ground state and during activation

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Sequence of late molecular events in the activation of rhodopsin

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Metal ion site engineering indicates a global toggle switch model for seven-transmembrane receptor activation.

21 January 2018

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Molecular mechanism of 7TM receptor activation--a global toggle switch model

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Toward the active conformations of rhodopsin and the beta2-adrenergic receptor

21 January 2018

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Modeling activated states of GPCRs: the rhodopsin template

21 January 2018

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Atomistic insights into rhodopsin activation from a dynamic model

21 January 2018

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Inactive and active states and supramolecular organization of GPCRs: insights from computational modeling

21 January 2018

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Computational mapping of the conformational transitions in agonist selective pathways of a G-protein coupled receptor.

21 January 2018

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Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist

21 January 2018

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Activation of the ghrelin receptor is described by a privileged collective motion: a model for constitutive and agonist-induced activation of a sub-class A G-protein coupled receptor (GPCR).

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21 January 2018

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Backbone-dependent rotamer library for proteins. Application to side-chain prediction

21 January 2018

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An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane Proteins

21 January 2018

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

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Crystal structure of the catalytic domains of adenylyl cyclase in a complex with Gsalpha.GTPgammaS

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

The 2.0 A crystal structure of a heterotrimeric G protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Structure and function in rhodopsin: mapping light-dependent changes in distance between residue 65 in helix TM1 and residues in the sequence 306-319 at the cytoplasmic end of helix TM7 and in helix H8.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Structure and function in rhodopsin: mapping light-dependent changes in distance between residue 316 in helix 8 and residues in the sequence 60-75, covering the cytoplasmic end of helices TM1 and TM2 and their connection loop CL1.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

The retinal conformation and its environment in rhodopsin in light of a new 2.2 A crystal structure

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.22974

Conversion of agonist site to metal-ion chelator site in the beta(2)-adrenergic receptor

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.22974

Conformational changes involved in G-protein-coupled-receptor activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Conformational changes that occur during M3 muscarinic acetylcholine receptor activation probed by the use of an in situ disulfide cross-linking strategy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Use of an in situ disulfide cross-linking strategy to study the dynamic properties of the cytoplasmic end of transmembrane domain VI of the M3 muscarinic acetylcholine receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Distinct structural changes in a G protein-coupled receptor caused by different classes of agonist ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Ligand-specific changes in M3 muscarinic acetylcholine receptor structure detected by a disulfide scanning strategy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Identification of an agonist-induced conformational change occurring adjacent to the ligand-binding pocket of the M(3) muscarinic acetylcholine receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Use of an in situ disulfide cross-linking strategy to map proximities between amino acid residues in transmembrane domains I and VII of the M3 muscarinic acetylcholine receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Pronounced conformational changes following agonist activation of the M(3) muscarinic acetylcholine receptor

21 January 2018

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Ligand binding and micro-switches in 7TM receptor structures

21 January 2018

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Location of Trp265 in metarhodopsin II: implications for the activation mechanism of the visual receptor rhodopsin

21 January 2018

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Changes in interhelical hydrogen bonding upon rhodopsin activation

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.22974

Electron crystallography reveals the structure of metarhodopsin I.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.22974

Beta2 adrenergic receptor activation. Modulation of the proline kink in transmembrane 6 by a rotamer toggle switch

21 January 2018

1 reference

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The forgotten serine. A critical role for Ser-2035.42 in ligand binding to and activation of the beta 2-adrenergic receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Ser203 as well as Ser204 and Ser207 in fifth transmembrane domain of the human beta2-adrenoceptor contributes to agonist binding and receptor activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Involvement of Asn-293 in stereospecific agonist recognition and in activation of the beta 2-adrenergic receptor

21 January 2018

1 reference

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Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties

21 January 2018

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Importance of the peptide backbone description in modeling the selectivity filter in potassium channels.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Intrinsic differences in the response of the human lutropin receptor versus the human follitropin receptor to activating mutations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

An intracellular loop (IL2) residue confers different basal constitutive activities to the human lutropin receptor and human thyrotropin receptor through structural communication between IL2 and helix 6, via helix 3.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Mechanisms of inter- and intramolecular communication in GPCRs and G proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

A lipid pathway for ligand binding is necessary for a cannabinoid G protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Concerted interconversion between ionic lock substates of the beta(2) adrenergic receptor revealed by microsecond timescale molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Internal hydration increases during activation of the G-protein-coupled receptor rhodopsin

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Coupling of retinal, protein, and water dynamics in squid rhodopsin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Dynamics of the internal water molecules in squid rhodopsin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

VMD: visual molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Flexible ligand docking to multiple receptor conformations: a practical alternative

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Ensemble Docking from Homology Models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Unveiling the full potential of flexible receptor docking using multiple crystallographic structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Bio3d: an R package for the comparative analysis of protein structures.

21 January 2018

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https://api.crossref.org/works/10.1002%2FPROT.22974

R: A Language for Data Analysis and Graphics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Coexpression studies with mutant muscarinic/adrenergic receptors provide evidence for intermolecular "cross-talk" between G-protein-linked receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Domain swapping in the human histamine H1 receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Dimerization of G-protein-coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Mutations of Tyr326 in the beta 2-adrenoceptor disrupt multiple receptor functions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Helix movement is coupled to displacement of the second extracellular loop in rhodopsin activation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Conserved helix 7 tyrosine acts as a multistate conformational switch in the 5HT2C receptor. Identification of a novel "locked-on" phenotype and double revertant mutations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Activation of the beta 2-adrenergic receptor involves disruption of an ionic lock between the cytoplasmic ends of transmembrane segments 3 and 6.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Ligand binding to the beta-adrenergic receptor involves its rhodopsin-like core

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

GPCRDB: an information system for G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Structure and function of G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

A critical assessment of docking programs and scoring functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. [Erratum to document cited in CA103(2):11627f]

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

G Protein-Coupled Receptors Self-Assemble in Dynamics Simulations of Model Bilayers

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.22974

21 January 2018

Identifiers

DOI

10.1002/PROT.22974

1 reference

14 May 2018

1 reference

14 May 2018