Journal of Medicinal Chemistry
Article
Mathiesen, J. M.; Shah, S. T.; Lyons, J. A.; Caffrey, M.; Gellman, S. H.;
Steyaert, J.; Skiniotis, G.; Weis, W. I.; Sunahara, R. K.; Kobilka, B. K.
AUTHOR INFORMATION
Corresponding Author
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*
Crystal structure of the β adrenergic receptor-Gs protein complex.
2
Nature 2011, 477, 549−555.
(12) Xu, F.; Wu, H.; Katritch, V.; Han, G. W.; Jacobson, K. A.; Gao,
Z. G.; Cherezov, V.; Stevens, R. C. Structure of an Agonist-Bound
Notes
Human A2A Adenosine Receptor. Science 2011, 332, 322−327.
(
13) Lebon, G.; Warne, T.; Edwards, P. C.; Bennett, K.; Langmead,
The authors declare no competing financial interest.
C. J.; Leslie, A. G.; Tate, C. G. Agonist-bound adenosine A2A receptor
structures reveal common features of GPCR activation. Nature 2011,
ACKNOWLEDGMENTS
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74, 521−525.
This research was supported by the Intramural Research
Program of the NIH, National Institute of Diabetes and
Digestive and Kidney Diseases, and the NIH PSI:Biology grant
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(
U54 GM094618) to R.C.S., R.A., and V.K.
conformational changes of the β adrenoceptor that enable accurate
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ABBREVIATIONS USED
prediction of ligand/receptor interactions and screening for GPCR
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modulators. J. Comput.-Aided Mol. Des. 2009, 23, 273−288.
AR, adenosine receptor; VLS, virtual ligand screening; ECL,
extracellular loop; GPCR, G protein-coupled receptor; HPLC,
high performance liquid chromatography; PDB, Protein Data
Bank; ICM, internal coordinate mechanics; NECA, 5′-N-
ethylcarboxamidoadenosine; rmsd, root-mean-square deviation;
TM, transmembrane α-helix; ROC, receiver operating charac-
teristic
(16) Congreve, M.; Langmead, C. J.; Mason, J. S.; Marshall, F. H.
Progress in structure based drug design for G protein-coupled
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