(Q45922523)

English

Docking studies on a refined human beta(2) adrenoceptor model yield theoretical affinity values in function with experimental values for R-ligands, but not for S-antagonists.

scientific article published on 22 July 2009

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

Docking studies on a refined human beta(2) adrenoceptor model yield theoretical affinity values in function with experimental values for R-ligands, but not for S-antagonists (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

Marvin A Soriano-Ursúa

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

Jesús Alvarez-Cedillo

3

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

author name string

José G Trujillo-Ferrara

2

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

José Correa-Basurto

4

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Europe PubMed Central

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3 February 2020

publication date

22 July 2009

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3 February 2020

Journal of Molecular Modeling

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

16

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Europe PubMed Central

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3 February 2020

3

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

401-409

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

In vitro mutagenesis and the search for structure-function relationships among G protein-coupled receptors

1 reference

https://api.crossref.org/works/10.1007%2FS00894-009-0563-5

21 January 2018

Computing highly correlated positions using mutual information and graph theory for G protein-coupled receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Catechol-binding serines of beta(2)-adrenergic receptors control the equilibrium between active and inactive receptor states

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Insights into signaling from the β2-adrenergic receptor structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamics of a biophysical model for beta2-adrenergic and G protein-coupled receptor activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of a beta1-adrenergic G-protein-coupled receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based discovery of beta2-adrenergic receptor ligands

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synergistic contributions of the functional groups of epinephrine to its affinity and efficacy at the beta2 adrenergic receptor.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Role of group-conserved residues in the helical core of beta2-adrenergic receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Sequential binding of agonists to the beta2 adrenoceptor. Kinetic evidence for intermediate conformational states

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

G protein coupled receptor structure and activation

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure of the human beta2 adrenergic G-protein-coupled receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis, pharmacological and in silico evaluation of 1-(4-di-hydroxy-3,5-dioxa-4-borabicyclo[4.4.0]deca-7,9,11-trien-9-yl)-2-(tert-butylamino)ethanol, a compound designed to act as a beta2 adrenoceptor agonist.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Scalable molecular dynamics with NAMD

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computational validation of the importance of absolute stereochemistry in virtual screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Site-directed mutagenesis of the cytoplasmic domains of the human beta 2-adrenergic receptor. Localization of regions involved in G protein-receptor coupling

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Pharmacogenetic tests in asthma therapy

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

VMD: visual molecular dynamics

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Dynamic behavior of fully solvated beta2-adrenergic receptor, embedded in the membrane with bound agonist or antagonist.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mutation of Asn293 to Asp in transmembrane helix VI abolishes agonist-induced but not constitutive activity of the beta(2)-adrenergic receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Probing the beta2 adrenoceptor binding site with catechol reveals differences in binding and activation by agonists and partial agonists

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the applicability of GPCR homology models to computer-aided drug discovery: a comparison between in silico and crystal structures of the beta2-adrenergic receptor.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The role of the seventh transmembrane region in high affinity binding of a beta 2-selective agonist TA-2005

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

beta2-adrenergic receptor desensitization, internalization, and phosphorylation in response to full and partial agonists

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Topology of class A G protein-coupled receptors: insights gained from crystal structures of rhodopsins, adrenergic and adenosine receptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Site-directed mutagenesis of beta-adrenergic receptors. Identification of conserved cysteine residues that independently affect ligand binding and receptor activation.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural basis for ligand binding and specificity in adrenergic receptors: implications for GPCR-targeted drug discovery.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19626351

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S00894-009-0563-5

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19626351%20AND%20SRC:MED&resulttype=core&format=json

3 February 2020

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