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Results: 1 to 20 of 202

Similar articles for PubMed (Select 22275072)

1.

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.

2.

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.

3.

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.

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.

5.

Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators.

Reynolds KA, Katritch V, Abagyan R.

J Comput Aided Mol Des. 2009 May;23(5):273-88. doi: 10.1007/s10822-008-9257-9. Epub 2009 Jan 16.

6.

Adrenaline-activated structure of β2-adrenoceptor stabilized by an engineered nanobody.

Ring AM, Manglik A, Kruse AC, Enos MD, Weis WI, Garcia KC, Kobilka BK.

Nature. 2013 Oct 24;502(7472):575-9. doi: 10.1038/nature12572. Epub 2013 Sep 22.

7.

Simulations of biased agonists in the β(2) adrenergic receptor with accelerated molecular dynamics.

Tikhonova IG, Selvam B, Ivetac A, Wereszczynski J, McCammon JA.

Biochemistry. 2013 Aug 20;52(33):5593-603. doi: 10.1021/bi400499n. Epub 2013 Aug 7.

8.

Influence of lipid composition on the structural stability of g-protein coupled receptor.

Mahmood I, Liu X, Neya S, Hoshino T.

Chem Pharm Bull (Tokyo). 2013;61(4):426-37.

9.

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
10.

FoldGPCR: structure prediction protocol for the transmembrane domain of G protein-coupled receptors from class A.

Michino M, Chen J, Stevens RC, Brooks CL 3rd.

Proteins. 2010 Aug 1;78(10):2189-201. doi: 10.1002/prot.22731.

11.

Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors.

Nikiforovich GV, Taylor CM, Marshall GR, Baranski TJ.

Proteins. 2010 Feb 1;78(2):271-85. doi: 10.1002/prot.22537.

12.

Studies on the interactions between β2 adrenergic receptor and Gs protein by molecular dynamics simulations.

Feng Z, Hou T, Li Y.

J Chem Inf Model. 2012 Apr 23;52(4):1005-14. doi: 10.1021/ci200594d. Epub 2012 Mar 29.

PMID:
22404225
13.

Structure and function of an irreversible agonist-β(2) adrenoceptor complex.

Rosenbaum DM, Zhang C, Lyons JA, Holl R, Aragao D, Arlow DH, Rasmussen SG, Choi HJ, Devree BT, Sunahara RK, Chae PS, Gellman SH, Dror RO, Shaw DE, Weis WI, Caffrey M, Gmeiner P, Kobilka BK.

Nature. 2011 Jan 13;469(7329):236-40. doi: 10.1038/nature09665.

14.
15.

Structure of a nanobody-stabilized active state of the β(2) adrenoceptor.

Rasmussen SG, Choi HJ, Fung JJ, Pardon E, Casarosa P, Chae PS, Devree BT, Rosenbaum DM, Thian FS, Kobilka TS, Schnapp A, Konetzki I, Sunahara RK, Gellman SH, Pautsch A, Steyaert J, Weis WI, Kobilka BK.

Nature. 2011 Jan 13;469(7329):175-80. doi: 10.1038/nature09648.

16.

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
17.

Modeling G protein-coupled receptors in complex with biased agonists.

Costanzi S.

Trends Pharmacol Sci. 2014 Jun;35(6):277-83. doi: 10.1016/j.tips.2014.04.004. Epub 2014 May 2. Review.

PMID:
24793542
18.

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
19.

Efficacy of the β₂-adrenergic receptor is determined by conformational equilibrium in the transmembrane region.

Kofuku Y, Ueda T, Okude J, Shiraishi Y, Kondo K, Maeda M, Tsujishita H, Shimada I.

Nat Commun. 2012;3:1045. doi: 10.1038/ncomms2046.

20.

GPCR agonist binding revealed by modeling and crystallography.

Katritch V, Abagyan R.

Trends Pharmacol Sci. 2011 Nov;32(11):637-43. doi: 10.1016/j.tips.2011.08.001. Epub 2011 Sep 6.

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