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Structure-function of the G protein-coupled receptor superfamily.
Katritch V, Cherezov V, Stevens RC. Katritch V, et al. Annu Rev Pharmacol Toxicol. 2013;53:531-56. doi: 10.1146/annurev-pharmtox-032112-135923. Epub 2012 Nov 8. Annu Rev Pharmacol Toxicol. 2013. PMID: 23140243 Free PMC article. Review.
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. Reynolds KA, et al. J Comput Aided Mol Des. 2009 May;23(5):273-88. doi: 10.1007/s10822-008-9257-9. Epub 2009 Jan 16. J Comput Aided Mol Des. 2009. PMID: 19148767 Free PMC article.
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. Katritch V, et al. J Mol Recognit. 2009 Jul-Aug;22(4):307-18. doi: 10.1002/jmr.949. J Mol Recognit. 2009. PMID: 19353579 Free PMC article.
Further, receptor models incorporating a flexible TM-V backbone allow reliable prediction of binding affinities for a set of diverse ligands, suggesting potential utility of this approach to design of effective and subtype-specific agonists for adrenergic receptors. System …
Further, receptor models incorporating a flexible TM-V backbone allow reliable prediction of binding affinities for a set of diverse …
Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.
Katritch V, Jaakola VP, Lane JR, Lin J, Ijzerman AP, Yeager M, Kufareva I, Stevens RC, Abagyan R. Katritch V, et al. J Med Chem. 2010 Feb 25;53(4):1799-809. doi: 10.1021/jm901647p. J Med Chem. 2010. PMID: 20095623 Free PMC article.
Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues.
Jaakola VP, Lane JR, Lin JY, Katritch V, Ijzerman AP, Stevens RC. Jaakola VP, et al. J Biol Chem. 2010 Apr 23;285(17):13032-44. doi: 10.1074/jbc.M109.096974. Epub 2010 Feb 10. J Biol Chem. 2010. PMID: 20147292 Free PMC article.
Structure based prediction of subtype-selectivity for adenosine receptor antagonists.
Katritch V, Kufareva I, Abagyan R. Katritch V, et al. Neuropharmacology. 2011 Jan;60(1):108-15. doi: 10.1016/j.neuropharm.2010.07.009. Epub 2010 Jul 15. Neuropharmacology. 2011. PMID: 20637786 Free PMC article.
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. Wacker D, et al. J Am Chem Soc. 2010 Aug 25;132(33):11443-5. doi: 10.1021/ja105108q. J Am Chem Soc. 2010. PMID: 20669948 Free PMC article.
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC. Wu B, et al. Science. 2010 Nov 19;330(6007):1066-71. doi: 10.1126/science.1194396. Epub 2010 Oct 7. Science. 2010. PMID: 20929726 Free PMC article.
All structures reveal a consistent homodimer with an interface including helices V and VI that may be involved in regulating signaling. ...
All structures reveal a consistent homodimer with an interface including helices V and VI that may be involved in regulating signalin …
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