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Results: 1 to 20 of 135

1.

Structure-based discovery of beta2-adrenergic receptor ligands.

Kolb P, Rosenbaum DM, Irwin JJ, Fung JJ, Kobilka BK, Shoichet BK.

Proc Natl Acad Sci U S A. 2009 Apr 21;106(16):6843-8. doi: 10.1073/pnas.0812657106. Epub 2009 Apr 2.

PMID:
19342484
[PubMed - indexed for MEDLINE]
Free PMC Article
2.

Structure-based discovery of A2A adenosine receptor ligands.

Carlsson J, Yoo L, Gao ZG, Irwin JJ, Shoichet BK, Jacobson KA.

J Med Chem. 2010 May 13;53(9):3748-55. doi: 10.1021/jm100240h.

PMID:
20405927
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

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

Katritch V, Reynolds KA, Cherezov V, Hanson MA, Roth CB, Yeager M, Abagyan R.

J Mol Recognit. 2009 Jul-Aug;22(4):307-18. doi: 10.1002/jmr.949.

PMID:
19353579
[PubMed - indexed for MEDLINE]
Free PMC Article
4.

Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography.

Wacker D, Fenalti G, Brown MA, Katritch V, Abagyan R, Cherezov V, Stevens RC.

J Am Chem Soc. 2010 Aug 25;132(33):11443-5. doi: 10.1021/ja105108q.

PMID:
20669948
[PubMed - indexed for MEDLINE]
Free PMC Article
5.

Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor.

Weiss DR, Ahn S, Sassano MF, Kleist A, Zhu X, Strachan R, Roth BL, Lefkowitz RJ, Shoichet BK.

ACS Chem Biol. 2013 May 17;8(5):1018-26. doi: 10.1021/cb400103f. Epub 2013 Mar 21.

PMID:
23485065
[PubMed - indexed for MEDLINE]
Free PMC Article
6.

Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptor.

Vilar S, Karpiak J, Costanzi S.

J Comput Chem. 2010 Mar;31(4):707-20. doi: 10.1002/jcc.21346.

PMID:
19569204
[PubMed - indexed for MEDLINE]
Free PMC Article
7.

Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds.

Sabio M, Jones K, Topiol S.

Bioorg Med Chem Lett. 2008 Oct 15;18(20):5391-5. doi: 10.1016/j.bmcl.2008.09.046. Epub 2008 Sep 14.

PMID:
18829308
[PubMed - indexed for MEDLINE]
8.

Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?

Tang H, Wang XS, Hsieh JH, Tropsha A.

Proteins. 2012 Jun;80(6):1503-21. doi: 10.1002/prot.24035. Epub 2012 Mar 13.

PMID:
22275072
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Use of the X-ray structure of the Beta2-adrenergic receptor for drug discovery.

Topiol S, Sabio M.

Bioorg Med Chem Lett. 2008 Mar 1;18(5):1598-602. doi: 10.1016/j.bmcl.2008.01.063. Epub 2008 Jan 19.

PMID:
18243704
[PubMed - indexed for MEDLINE]
10.

An insilico approach to high altitude pulmonary edema - Molecular modeling of human beta2 adrenergic receptor and its interaction with Salmeterol & Nifedipine.

Chandramoorthi GD, Piramanayagam S, Marimuthu P.

J Mol Model. 2008 Sep;14(9):849-56. doi: 10.1007/s00894-008-0322-z. Epub 2008 May 30.

PMID:
18512086
[PubMed - indexed for MEDLINE]
11.

Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.

Vilar S, Ferino G, Phatak SS, Berk B, Cavasotto CN, Costanzi S.

J Mol Graph Model. 2011 Feb;29(5):614-23. doi: 10.1016/j.jmgm.2010.11.005. Epub 2010 Nov 19.

PMID:
21146435
[PubMed - indexed for MEDLINE]
Free PMC Article
12.

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

Bokoch MP, Zou Y, Rasmussen SG, Liu CW, Nygaard R, Rosenbaum DM, Fung JJ, Choi HJ, Thian FS, Kobilka TS, Puglisi JD, Weis WI, Pardo L, Prosser RS, Mueller L, Kobilka BK.

Nature. 2010 Jan 7;463(7277):108-12. doi: 10.1038/nature08650.

PMID:
20054398
[PubMed - indexed for MEDLINE]
Free PMC Article
13.

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

Huber T, Menon S, Sakmar TP.

Biochemistry. 2008 Oct 21;47(42):11013-23. doi: 10.1021/bi800891r. Epub 2008 Sep 27.

PMID:
18821775
[PubMed - indexed for MEDLINE]
14.

Molecular dynamics simulations of the effect of the G-protein and diffusible ligands on the β2-adrenergic receptor.

Goetz A, Lanig H, Gmeiner P, Clark T.

J Mol Biol. 2011 Dec 9;414(4):611-23. doi: 10.1016/j.jmb.2011.10.015. Epub 2011 Oct 20.

PMID:
22037586
[PubMed - indexed for MEDLINE]
15.

Ligand-specific interactions modulate kinetic, energetic, and mechanical properties of the human β2 adrenergic receptor.

Zocher M, Fung JJ, Kobilka BK, Müller DJ.

Structure. 2012 Aug 8;20(8):1391-402. doi: 10.1016/j.str.2012.05.010. Epub 2012 Jun 28.

PMID:
22748765
[PubMed - indexed for MEDLINE]
Free Article
16.

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

Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK.

Nat Chem Biol. 2011 Sep 18;7(11):769-78. doi: 10.1038/nchembio.662.

PMID:
21926995
[PubMed - indexed for MEDLINE]
Free PMC Article
17.

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

Simpson LM, Wall ID, Blaney FE, Reynolds CA.

Proteins. 2011 May;79(5):1441-57. doi: 10.1002/prot.22974. Epub 2011 Feb 18.

PMID:
21337626
[PubMed - indexed for MEDLINE]
18.

A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design.

Sanders MP, Roumen L, van der Horst E, Lane JR, Vischer HF, van Offenbeek J, de Vries H, Verhoeven S, Chow KY, Verkaar F, Beukers MW, McGuire R, Leurs R, Ijzerman AP, de Vlieg J, de Esch IJ, Zaman GJ, Klomp JP, Bender A, de Graaf C.

J Med Chem. 2012 Jun 14;55(11):5311-25. doi: 10.1021/jm300280e. Epub 2012 May 23.

PMID:
22563707
[PubMed - indexed for MEDLINE]
19.

X-ray structure breakthroughs in the GPCR transmembrane region.

Topiol S, Sabio M.

Biochem Pharmacol. 2009 Jul 1;78(1):11-20. doi: 10.1016/j.bcp.2009.02.012. Epub 2009 Feb 27. Review.

PMID:
19447219
[PubMed - indexed for MEDLINE]
20.

Ligand supported homology modeling and docking evaluation of CCR2: docked pose selection by consensus scoring.

Kim JH, Lim JW, Lee SW, Kim K, No KT.

J Mol Model. 2011 Oct;17(10):2707-16. doi: 10.1007/s00894-010-0943-x. Epub 2011 Jan 7.

PMID:
21213000
[PubMed - indexed for MEDLINE]

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