-
1
-
-
42149181885
-
Structural diversity of G protein-coupled receptors and significance for drug discovery
-
Lagerstrom MC, Schioth HB. Structural diversity of G protein-coupled receptors and significance for drug discovery. Nat. Rev. Drug Discov. 7(4), 339-357 (2008).
-
(2008)
Nat. Rev. Drug Discov.
, vol.7
, Issue.4
, pp. 339-357
-
-
Lagerstrom, M.C.1
Schioth, H.B.2
-
2
-
-
0038024615
-
The G-protein-coupled receptors in the human genome form five main families
-
Phylogenetic analysis, paralogon groups and fingerprints
-
Fredriksson R, Lagerstrom MC, Lundin LG, Schioth HB. The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints. Mol. Pharmacol. 63(6), 1256-1272 (2003).
-
(2003)
Mol. Pharmacol.
, vol.63
, Issue.6
, pp. 1256-1272
-
-
Fredriksson, R.1
Lagerstrom, M.C.2
Lundin, L.G.3
Schioth, H.B.4
-
4
-
-
2542440005
-
Orphan G protein-coupled receptors: Targets for new therapeutic interventions
-
DOI 10.1080/07853890310024668
-
Lin SH, Civelli O. Orphan G protein-coupled receptors: targets for new therapeutic interventions. Ann. Med. 36(3), 204-214 (2004). (Pubitemid 38680197)
-
(2004)
Annals of Medicine
, vol.36
, Issue.3
, pp. 204-214
-
-
Lin, S.H.S.1
Civelli, O.2
-
6
-
-
33748671369
-
The 7 TM G-protein-coupled receptor target family
-
Jacoby E, Bouhelal R, Gerspacher M, Seuwen K. The 7 TM G-protein-coupled receptor target family. ChemMedChem 1(8), 760-782 (2006).
-
(2006)
Chem. Med. Chem.
, vol.1
, Issue.8
, pp. 760-782
-
-
Jacoby, E.1
Bouhelal, R.2
Gerspacher, M.3
Seuwen, K.4
-
7
-
-
27744566108
-
-
Seifert R Wieland T Eds Wiley-VCH Weinheim Germany
-
G Protein-Coupled Receptors as Drug Targets. Seifert R, Wieland T (Eds).Wiley-VCH, Weinheim, Germany (2005).
-
(2005)
G Protein-Coupled Receptors as Drug Targets
-
-
-
8
-
-
34147102293
-
G-protein-coupled receptors: An update
-
DOI 10.1111/j.1365-201X.2007.01689.x
-
Fredholm BB, Hökfelt T, Milligan G. G-protein-coupled receptors: an update. Acta Physiol. 190(1), 3-7 (2007). (Pubitemid 46570172)
-
(2007)
Acta Physiologica
, vol.190
, Issue.1
, pp. 3-7
-
-
Fredholm, B.B.1
Hokfelt, T.2
Milligan, G.3
-
9
-
-
72049126087
-
G protein-coupled receptors as targets for drug design
-
de la Nuez Veulens A, Rodriguez R. G protein-coupled receptors as targets for drug design. Biotechnol. Apl. 26, 24-33 (2009).
-
(2009)
Biotechnol. Apl.
, vol.26
, pp. 24-33
-
-
De La Nuez Veulens, A.1
Rodriguez, R.2
-
10
-
-
33749521608
-
Latest development in drug discovery on G protein-coupled receptors
-
DOI 10.2174/138920306778559403
-
Lundstrom K. Latest development in drug discovery on G protein-coupled receptors. Curr. Protein Pept. Sci. 7(5), 465-470 (2006). (Pubitemid 44524494)
-
(2006)
Current Protein and Peptide Science
, vol.7
, Issue.5
, pp. 465-470
-
-
Lundstrom, K.1
-
12
-
-
78049282918
-
Regulation of GPCR signaling in hypertension
-
Brinks HL, Eckhart AD. Regulation of GPCR signaling in hypertension. Biochim. Biophys. Acta 1802(12), 1268-1275 (2010).
-
(2010)
Biochim. Biophys. Acta.
, vol.1802
, Issue.12
, pp. 1268-1275
-
-
Brinks, H.L.1
Eckhart, A.D.2
-
13
-
-
77955848944
-
G-protein coupled receptors in stem cell self-renewal and differentiation
-
Kobayashi NR, Hawes SM, Crook JM, Pebay A. G-protein coupled receptors in stem cell self-renewal and differentiation. Stem Cell Rev. 6(3), 351-366 (2010).
-
(2010)
Stem. Cell. Rev.
, vol.6
, Issue.3
, pp. 351-366
-
-
Kobayashi, N.R.1
Hawes, S.M.2
Crook, J.M.3
Pebay, A.4
-
14
-
-
77952643387
-
Cannabinoid CB1 receptor-interacting proteins: Novel targets for central nervous system drug discovery
-
Smith TH, Sim-Selley LJ, Selley DE. Cannabinoid CB1 receptor-interacting proteins: novel targets for central nervous system drug discovery? Br. J. Pharmacol. 160(3), 454-466 (2010).
-
(2010)
Br. J. Pharmacol.
, vol.160
, Issue.3
, pp. 454-466
-
-
Smith, T.H.1
Sim-Selley, L.J.2
Selley, D.E.3
-
15
-
-
77949506248
-
Targeting platelet G-protein coupled receptors GPCRs: Looking beyond conventional GPCR antagonism
-
Dowal L, Flaumenhaft R. Targeting platelet G-protein coupled receptors (GPCRs): looking beyond conventional GPCR antagonism. Curr. Vasc. Pharmacol. 8(2), 140-154 (2010).
-
(2010)
Curr. Vasc. Pharmacol.
, vol.8
, Issue.2
, pp. 140-154
-
-
Dowal, L.1
Flaumenhaft, R.2
-
16
-
-
70349318057
-
Introduction to adenosine receptors as therapeutic targets
-
Jacobson KA. Introduction to adenosine receptors as therapeutic targets. Handb. Exp. Pharmacol. 193, 1-24 (2009).
-
(2009)
Handb. Exp. Pharmacol.
, vol.193
, pp. 1-24
-
-
Jacobson, K.A.1
-
18
-
-
69149101118
-
G Protein signaling controls the differentiation of multiple cell lineages
-
Wang K, Wong YH. G Protein signaling controls the differentiation of multiple cell lineages. Biofactors 35(3), 232-238 (2009).
-
(2009)
Biofactors
, vol.35
, Issue.3
, pp. 232-238
-
-
Wang, K.1
Wong, Y.H.2
-
19
-
-
53749086028
-
Targeting human mast cells expressing G-protein-coupled receptors in allergic diseases
-
Okayama Y, Saito H, Rai C. Targeting human mast cells expressing G-protein-coupled receptors in allergic diseases. Allergol. Int. 57(3), 197-203 (2008).
-
(2008)
Allergol. Int.
, vol.57
, Issue.3
, pp. 197-203
-
-
Okayama, Y.1
Saito, H.2
Rai, C.3
-
20
-
-
53149136171
-
Chemotaxis chemokine receptors and human disease
-
Jin T, Xu X, Hereld D. Chemotaxis, chemokine receptors and human disease. Cytokine 44(1), 1-8 (2008).
-
(2008)
Cytokine
, vol.44
, Issue.1
, pp. 1-8
-
-
Jin, T.1
Xu, X.2
Hereld, D.3
-
21
-
-
53949096719
-
G protein-coupled receptor connectivity to NF-kB in inflammation and cancer
-
Fraser CC. G protein-coupled receptor connectivity to NF-kB in inflammation and cancer. Int. Rev. Immunol. 27(5), 320-350 (2008).
-
(2008)
Int. Rev. Immunol.
, vol.27
, Issue.5
, pp. 320-350
-
-
Fraser, C.C.1
-
22
-
-
46749119840
-
Chemokines as pharmacological targets
-
Galliera E, Corsi MM, Bonecchi R, Locati M, Mantovani A. Chemokines as pharmacological targets. Mini Rev. Med. Chem. 8(7), 638-646 (2008).
-
(2008)
Mini Rev. Med. Chem.
, vol.8
, Issue.7
, pp. 638-646
-
-
Galliera, E.1
Corsi, M.M.2
Bonecchi, R.3
Locati, M.4
Mantovani, A.5
-
23
-
-
47249128659
-
G-protein-coupled receptors and melanoma
-
DOI 10.1111/j.1755-148X.2008.00478.x
-
Lee HJ, Wall B, Chen S. G-protein-coupled receptors and melanoma. Pigment Cell Melanoma Res. 21(4), 415-428 (2008). (Pubitemid 351990969)
-
(2008)
Pigment Cell and Melanoma Research
, vol.21
, Issue.4
, pp. 415-428
-
-
Lee, H.J.1
Wall, B.2
Chen, S.3
-
24
-
-
34250756027
-
GPCR drug discovery: Novel ligands for CNS receptors
-
Lim WK. GPCR drug discovery: novel ligands for CNS receptors. Recent Pat. CNS Drug Discov. 2(2), 107-112 (2007). (Pubitemid 46952448)
-
(2007)
Recent Patents on CNS Drug Discovery
, vol.2
, Issue.2
, pp. 107-112
-
-
Lim, W.K.1
-
25
-
-
34247855761
-
Chemokine: Receptor structure, interactions, and antagonism
-
DOI 10.1146/annurev.immunol.24.021605.090529
-
Allen SJ, Crown SE, and Handel TM. Chemokine: receptor structure, interactions, and antagonism. Annu. Rev. Immunol. 25, 787-820 (2007) (Pubitemid 46697924)
-
(2007)
Annual Review of Immunology
, vol.25
, pp. 787-820
-
-
Allen, S.J.1
Crown, S.E.2
Handel, T.M.3
-
26
-
-
30444454024
-
G-protein-coupled receptors: Past, present and future
-
DOI 10.1038/sj.bjp.0706455, PII 0706455
-
Hill SJ. G-protein-coupled receptors: past, present and future. Br. J. Pharmacol. 147(Suppl. 1), S27-S37 (2006). (Pubitemid 43077259)
-
(2006)
British Journal of Pharmacology
, vol.147
, Issue.SUPPL. 1
-
-
Hill, S.J.1
-
27
-
-
36448995359
-
2-adrenergic G protein-coupled receptor
-
DOI 10.1126/science.1150577
-
Cherezov V, Rosenbaum DM, Hanson MA et al. High-resolution crystal structure of an engineered human b2-adrenergic G protein coupled receptor. Science 318(5854), 1258-1265 (2007). (Pubitemid 350172884)
-
(2007)
Science
, vol.318
, Issue.5854
, pp. 1258-1265
-
-
Cherezov, V.1
Rosenbaum, D.M.2
Hanson, M.A.3
Rasmussen, S.G.F.4
Foon, S.T.5
Kobilka, T.S.6
Choi, H.-J.7
Kuhn, P.8
Weis, W.I.9
Kobilka, B.K.10
Stevens, R.C.11
-
28
-
-
36248970132
-
2 adrenergic G-protein-coupled receptor
-
DOI 10.1038/nature06325, PII NATURE06325
-
Rasmussen SGF, Choi HJ, Rosenbaum DM et al. Crystal structure of the human b2 adrenergic G-protein-coupled receptor. Nature 450(7168), 383-387 (2007). (Pubitemid 350126755)
-
(2007)
Nature
, vol.450
, Issue.7168
, pp. 383-387
-
-
Rasmussen, S.G.F.1
Choi, H.-J.2
Rosenbaum, D.M.3
Kobilka, T.S.4
Thian, F.S.5
Edwards, P.C.6
Burghammer, M.7
Ratnala, V.R.P.8
Sanishvili, R.9
Fischetti, R.F.10
Schertler, G.F.X.11
Weis, W.I.12
Kobilka, B.K.13
-
29
-
-
78651411166
-
Structure of a nanobody-stabilized active state of the b2 adrenoceptor
-
Rasmussen SGF, Choi HJ, Fung JJ et al. Structure of a nanobody-stabilized active state of the b2 adrenoceptor. Nature 469(7329), 175-180 (2011).
-
(2011)
Nature
, vol.469
, Issue.7329
, pp. 175-180
-
-
Rasmussen, S.G.F.1
Choi, H.J.2
Fung, J.J.3
-
30
-
-
47949129742
-
Structure of a b1-adrenergic G-protein-coupled receptor
-
Warne T, Serrano-Vega MJ, Baker JG et al. Structure of a b1-adrenergic G-protein-coupled receptor. Nature 454(7203), 486-491 (2008).
-
(2008)
Nature
, vol.454
, Issue.7203
, pp. 486-491
-
-
Warne, T.1
Serrano-Vega, M.J.2
Baker, J.G.3
-
31
-
-
78651405537
-
The structural basis for agonist and partial agonist action on a b1-adrenergic receptor
-
Warne T, Moukhametzianov R, Baker JG et al. The structural basis for agonist and partial agonist action on a b1-adrenergic receptor. Nature 469(7329), 241-244 (2011).
-
(2011)
Nature
, vol.469
, Issue.7329
, pp. 241-244
-
-
Warne, T.1
Moukhametzianov, R.2
Baker, J.G.3
-
32
-
-
56749103466
-
The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist
-
Jaakola VP, Griffith MT, Hanson MA et al. The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science 322(5905), 1211-1217 (2008).
-
(2008)
Science
, vol.322
, Issue.5905
, pp. 1211-1217
-
-
Jaakola, V.P.1
Griffith, M.T.2
Hanson, M.A.3
-
33
-
-
85027927015
-
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists
-
Wu B, Chien EY, Mol CD et al. Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science 330(6007), 1066-1071 (2010).
-
(2010)
Science
, vol.330
, Issue.6007
, pp. 1066-1071
-
-
Wu, B.1
Chien, E.Y.2
Mol, C.D.3
-
34
-
-
78449305788
-
Structure of the human dopamine D3 receptor in complex with a D2 D3 selective antagonist
-
Chien EYT, Liu W, Zhao Q et al. Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist. Science 330(6007), 1091-1095 (2010).
-
(2010)
Science
, vol.330
, Issue.6007
, pp. 1091-1095
-
-
Chien, E.Y.T.1
Liu, W.2
Zhao, Q.3
-
35
-
-
0034604451
-
Crystal structure of rhodopsin: A G protein-coupled receptor
-
DOI 10.1126/science.289.5480.739
-
Palczewski K, Kumasaka T, Hori T et al. Crystal structure of rhodopsin: a G protein-coupled receptor. Science 289(5480), 739-745 (2000). (Pubitemid 30650186)
-
(2000)
Science
, vol.289
, Issue.5480
, pp. 739-745
-
-
Palczewski, K.1
Kumasaka, T.2
Hori, T.3
Behnke, C.A.4
Motoshima, H.5
Fox, B.A.6
Le Trong, I.7
Teller, D.C.8
Okada, T.9
Stenkamp, R.E.10
Yamamoto, M.11
Miyano, M.12
-
36
-
-
43749109187
-
Crystal structure of squid rhodopsin
-
DOI 10.1038/nature06925, PII NATURE06925
-
Murakami M, Kouyama T. Crystal structure of squid rhodopsin. Nature 453(7193), 363-367 (2008). (Pubitemid 351693128)
-
(2008)
Nature
, vol.453
, Issue.7193
, pp. 363-367
-
-
Murakami, M.1
Kouyama, T.2
-
37
-
-
71749083052
-
Rhodopsin and the others: A historical perspective on structural studies of G protein-coupled receptors
-
Costanzi S, Siegel J, Tikhonova IG, Jacobson KA. Rhodopsin and the others: a historical perspective on structural studies of G protein-coupled receptors. Curr. Pharm. Des. 15(35), 3994-4002 (2009).
-
(2009)
Curr. Pharm. Des.
, vol.15
, Issue.35
, pp. 3994-4002
-
-
Costanzi, S.1
Siegel, J.2
Tikhonova, I.G.3
Jacobson, K.A.4
-
38
-
-
0037215651
-
Rhodopsin crystal: New template yielding realistic models of G-protein-coupled receptors?
-
DOI 10.1016/S0165-6147(02)00009-3, PII S0165614702000093
-
Archer E, Maigret B, Escrieut C, Pradayrol L, Fourmy D. Rhodopsin crystal: new template yielding realistic models of G-protein-coupled receptors? Trends Pharmacol. Sci. 24(1), 36-40 (2003). (Pubitemid 36009288)
-
(2003)
Trends in Pharmacological Sciences
, vol.24
, Issue.1
, pp. 36-40
-
-
Archer, E.1
Maigret, B.2
Escrieut, C.3
Pradayrol, L.4
Fourmy, D.5
-
39
-
-
0037235663
-
Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets?
-
DOI 10.1002/prot.10237
-
Bissantz C, Bernard P, Hibert M, Rognan D. Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets? Proteins 50(1), 5-25 (2003). (Pubitemid 36090604)
-
(2003)
Proteins: Structure, Function and Genetics
, vol.50
, Issue.1
, pp. 5-25
-
-
Bissantz, C.1
Bernard, P.2
Hibert, M.3
Rognan, D.4
-
40
-
-
44349158391
-
Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach
-
DOI 10.1002/prot.21906
-
Kimura SR, Tebben AJ, Langley DR. Expanding GPCR homology model binding sites via a balloon potential: a molecular dynamics refinement approach. Proteins 71(4), 1919-1929 (2008). (Pubitemid 351732945)
-
(2008)
Proteins: Structure, Function and Genetics
, vol.71
, Issue.4
, pp. 1919-1929
-
-
Kimura, S.R.1
Tebben, A.J.2
Langley, D.R.3
-
41
-
-
69049108756
-
Modern homology modeling of G-protein coupled receptors: Which structural template to use
-
Mobarec JC, Sanchez R, Filizola M. Modern homology modeling of G-protein coupled receptors: which structural template to use? J. Med. Chem. 52(16), 5207-5216 (2009).
-
(2009)
J. Med. Chem.
, vol.52
, Issue.16
, pp. 5207-5216
-
-
Mobarec, J.C.1
Sanchez, R.2
Filizola, M.3
-
42
-
-
4444274752
-
PREDICT modeling and in-silico screening for G-protein coupled receptors
-
DOI 10.1002/prot.20195
-
Shacham S, Marantz Y, Bar-Haim S et al. PREDICT modeling and in-silico screening for G-protein coupled receptors. Proteins 57(1), 51-86 (2004). (Pubitemid 39195884)
-
(2004)
Proteins: Structure, Function and Genetics
, vol.57
, Issue.1
, pp. 51-86
-
-
Shacham, S.1
Marantz, Y.2
Bar-Haim, S.3
Kalid, O.4
Warshaviak, D.5
Avisar, N.6
Inbal, B.7
Heifetz, A.8
Fichman, M.9
Topf, M.10
Naor, Z.11
Noiman, S.12
Becker, O.M.13
-
43
-
-
0036790954
-
Prediction of structure and function of G protein-coupled receptors
-
USA
-
Vaidehi N, Floriano WB, Trabanino R et al. Prediction of structure and function of G protein-coupled receptors. Proc. Natl Acad. Sci. USA 99(20), 12622-12627 (2002).
-
(2002)
Proc. Natl Acad. Sci.
, vol.99
, Issue.20
, pp. 12622-12627
-
-
Vaidehi, N.1
Floriano, W.B.2
Trabanino, R.3
-
44
-
-
0032011940
-
BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors
-
Filizola M, Perez JJ, Carteni-Farina M. BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptors. J. Comput. Aided Mol. Des. 12(2), 111-118 (1998). (Pubitemid 128691445)
-
(1998)
Journal of Computer-Aided Molecular Design
, vol.12
, Issue.2
, pp. 111-118
-
-
Filizola, M.1
-
45
-
-
75949094235
-
New vistas in GPCR 3D structure prediction
-
Rayan A. New vistas in GPCR 3D structure prediction. J. Mol. Model. 16(2), 183-191 (2010).
-
(2010)
J. Mol. Model.
, vol.16
, Issue.2
, pp. 183-191
-
-
Rayan, A.1
-
46
-
-
79952116502
-
Beyond rhodopsin: G protein-coupled receptor structure and modeling incorporating the b2-adrenergic and adenosine A2A crystal structures
-
Tebben AJ, Schnur DM. Beyond rhodopsin: G protein-coupled receptor structure and modeling incorporating the b2-adrenergic and adenosine A2A crystal structures. Chemoinformatics and Computational Chemical Biology. Methods Mol. Biol. 359-386 (2011).
-
(2011)
Chemoinformatics and Computational Chemical Biology. Methods Mol. Biol.
, pp. 359-386
-
-
Tebben, A.J.1
Schnur, D.M.2
-
47
-
-
78349305715
-
Dynamics and flexibility of G-protein-coupled receptor conformations and their relevance to drug design
-
Vaidehi N. Dynamics and flexibility of G-protein-coupled receptor conformations and their relevance to drug design. Drug Discov. Today 15(21-22), 951-957 (2010).
-
(2010)
Drug Discov. Today
, vol.15
, Issue.21-22
, pp. 951-957
-
-
Vaidehi, N.1
-
48
-
-
22944487986
-
Multiple signaling states of G-protein-coupled receptors
-
DOI 10.1124/pr.57.2.2
-
Perez DM, Karnik SS. Multiple signaling states of G-protein-coupled receptors. Pharmacol. Rev. 57(2), 147-161 (2005). (Pubitemid 41043881)
-
(2005)
Pharmacological Reviews
, vol.57
, Issue.2
, pp. 147-161
-
-
Perez, D.M.1
Karnik, S.S.2
-
49
-
-
24044495879
-
Novel roles for arrestins in G protein-coupled receptor biology and drug discovery
-
Claing A, Laporte SA. Novel roles for arrestins in G protein-coupled receptor biology and drug discovery. Curr. Opin. Drug Discov. Devel. 8(5), 585-589 (2005). (Pubitemid 41224121)
-
(2005)
Current Opinion in Drug Discovery and Development
, vol.8
, Issue.5
, pp. 585-589
-
-
Claing, A.1
Laporte, S.A.2
-
50
-
-
77950823494
-
Computational mapping of the conformational transitions in agonist selective pathways of a G-protein coupled receptor
-
Bhattacharya S, Vaidehi N. Computational mapping of the conformational transitions in agonist selective pathways of a G-protein coupled receptor. J. Am. Chem. Soc. 132(14), 5205-5214 (2010).
-
(2010)
J. Am. Chem. Soc.
, vol.132
, Issue.14
, pp. 5205-5214
-
-
Bhattacharya, S.1
Vaidehi, N.2
-
51
-
-
79955955515
-
The implication of the first agonist bound activated GPCR X-ray structure on GPCR in silico modeling
-
10.1021/ml100247s Epub ahead of print
-
Tautermann CS and Pautsch A. The implication of the first agonist bound activated GPCR X-ray structure on GPCR in silico modeling. ACS Med. Chem. Lett. DOI: 10.1021/ml100247s (2011) (Epub ahead of print).
-
(2011)
ACS Med. Chem. Lett.
-
-
Tautermann, C.S.1
Pautsch, A.2
-
52
-
-
0038387389
-
Hit and lead generation: Beyond high-throughput screening
-
DOI 10.1038/nrd1086
-
Bleicher KH, Bohm HJ, Muller K. Alanine AI: hit and lead generation: beyond high-throughput screening. Nat. Rev. Drug Discov. 2(5), 369-378 (2003). (Pubitemid 37361707)
-
(2003)
Nature Reviews Drug Discovery
, vol.2
, Issue.5
, pp. 369-378
-
-
Bleicher, K.H.1
Bohm, H.-J.2
Muller, K.3
Alanine, A.I.4
-
53
-
-
0028291618
-
Functional role in ligand binding and receptor activation of an asparagine residue present in the sixth transmembrane domain of all muscarinic acetylcholine receptors
-
Bluml K, Mutschler E, Wess J. Functional role in ligand binding and receptor activation of an asparagine residue present in the sixth transmembrane domain of all muscarinic acetylcholine receptors. J. Biol. Chem. 269(29), 18870-18876 (1994). (Pubitemid 24226200)
-
(1994)
Journal of Biological Chemistry
, vol.269
, Issue.29
, pp. 18870-18876
-
-
Bluml, K.1
Mutschler, E.2
Wess, J.3
-
54
-
-
36349016730
-
Roof and floor of the muscarinic binding pocket: Variations in the binding modes of orthosteric ligands
-
DOI 10.1124/mol.107.038265
-
Goodwin JA, Hulme EC, Langmead CJ, Tehan BG. Roof and floor of the muscarinic binding pocket: variations in the binding modes of orthosteric ligands. Mol. Pharmacol. 72(6), 1484-1496 (2007). (Pubitemid 350146086)
-
(2007)
Molecular Pharmacology
, vol.72
, Issue.6
, pp. 1484-1496
-
-
Goodwin, J.A.1
Hulme, E.C.2
Langmead, C.J.3
Tehan, B.G.4
-
55
-
-
0037129931
-
3 muscarinic acetylcholine receptor
-
DOI 10.1021/bi016029c
-
Hamdan FF, Ward SD, Siddiqui NA, Bloodworth LM, Wess J. Use of an in situ disulfide cross-linking strategy to map proximities between amino acid residues in transmembrane domains I and VII of the M3 muscarinic acetylcholine receptor. Biochemistry 41(24), 7647-7658 (2002). (Pubitemid 34627792)
-
(2002)
Biochemistry
, vol.41
, Issue.24
, pp. 7647-7658
-
-
Hamdan, F.F.1
Ward, S.D.C.2
Siddiqui, N.A.3
Bloodworth, L.M.4
Wess, J.5
-
56
-
-
0033052408
-
1 muscarinic receptors
-
DOI 10.1038/sj.bjp.0702301
-
Huang XP, Nagy PI, Williams FE, Peseckis SM, Messer WS Jr. Roles of threonine 192 and asparagine 382 in agonist and antagonist interactions with M1 muscarinic receptors. Br. J. Pharmacol. 126(3), 735-745 (1999). (Pubitemid 29087854)
-
(1999)
British Journal of Pharmacology
, vol.126
, Issue.3
, pp. 735-745
-
-
Huang, X.-P.1
Nagy, P.I.2
Williams, F.E.3
Peseckis, S.M.4
Messer Jr., W.S.5
-
57
-
-
0032853198
-
1 muscarinic acetylcholine receptors
-
Huang XP, Williams FE, Peseckis SM, Messer WS Jr. Differential modulation of agonist potency and receptor coupling by mutations of Ser388Tyr and Thr389Pro at the junction of transmembrane domain VI and the third extracellular loop of human M(1) muscarinic acetylcholine receptors. Mol. Pharmacol. 56(4), 775-783 (1999). (Pubitemid 29491180)
-
(1999)
Molecular Pharmacology
, vol.56
, Issue.4
, pp. 775-783
-
-
Huang, X.-P.1
Williams, F.E.2
Peseckis, S.M.3
Messer Jr., W.S.4
-
58
-
-
0037329292
-
Structure and activation of muscarinic acetylcholine receptors
-
Hulme EC, Lu ZL, Saldanha JW, Bee MS. Structure and activation of muscarinic acetylcholine receptors. Biochem. Soc. Trans. 31(Pt. 1), 29-34 (2003). (Pubitemid 36241392)
-
(2003)
Biochemical Society Transactions
, vol.31
, Issue.1
, pp. 29-34
-
-
Hulme, E.C.1
Lu, Z.L.2
Saldanha, J.W.3
Bee, M.S.4
-
59
-
-
0034802272
-
3 receptors
-
Krejci A, Tucek S. Changes of cooperativity between N-methylscopolamine and allosteric modulators alcuronium and gallamine induced by mutations of external loops of muscarinic M(3) receptors. Mol. Pharmacol. 60(4), 761-767 (2001). (Pubitemid 32900258)
-
(2001)
Molecular Pharmacology
, vol.60
, Issue.4
, pp. 761-767
-
-
Krejci, A.1
Tucek, S.2
-
60
-
-
59449090754
-
Mutagenic mapping suggests a novel binding mode for selective agonists of M1 muscarinic acetylcholine receptors
-
Lebon G, Langmead CJ, Tehan BG, Hulme EC. Mutagenic mapping suggests a novel binding mode for selective agonists of M1 muscarinic acetylcholine receptors. Mol. Pharmacol. 75(2), 331-341 (2009).
-
(2009)
Mol. Pharmacol.
, vol.75
, Issue.2
, pp. 331-341
-
-
Lebon, G.1
Langmead, C.J.2
Tehan, B.G.3
Hulme, E.C.4
-
61
-
-
33947399187
-
Rapid identification of functionally critical amino acids in a G protein-coupled receptor
-
DOI 10.1038/nmeth990, PII NMETH990
-
Li B, Scarselli M, Knudsen CD et al. Rapid identification of functionally critical amino acids in a G protein-coupled receptor. Nat. Methods 4(2), 169-174 (2007). (Pubitemid 46454686)
-
(2007)
Nature Methods
, vol.4
, Issue.2
, pp. 169-174
-
-
Li, B.1
Scarselli, M.2
Knudsen, C.D.3
Kim, S.-K.4
Jacobson, K.A.5
McMillin, S.M.6
Wess, J.7
-
62
-
-
0035823524
-
Transmembrane domains 4 and 7 of the M 1 muscarinic acetylcholine receptor are critical for ligand binding and the receptor activation switch
-
Lu ZL, Saldanha JW, Hulme EC. Transmembrane domains 4 and 7 of the M(1) muscarinic acetylcholine receptor are critical for ligand binding and the receptor activation switch. J. Biol. Chem. 276(36), 34098-34104 (2001).
-
(2001)
J. Biol. Chem.
, vol.276
, Issue.36
, pp. 34098-34104
-
-
Lu, Z.L.1
Saldanha, J.W.2
Hulme, E.C.3
-
63
-
-
33745282128
-
Allosteric interactions with muscarinic acetylcholine receptors: Complex role of the conserved tryptophan M2422Trp in a critical cluster of amino acids for baseline affinity subtype selectivity and cooperativity
-
Prilla S, Schrobang J, Ellis J, Holtje HD, Mohr K. Allosteric interactions with muscarinic acetylcholine receptors: complex role of the conserved tryptophan M2422Trp in a critical cluster of amino acids for baseline affinity, subtype selectivity, and cooperativity. Mol. Pharmacol. 70(1), 181-193 (2006).
-
(2006)
Mol. Pharmacol.
, vol.70
, Issue.1
, pp. 181-193
-
-
Prilla, S.1
Schrobang, J.2
Ellis, J.3
Holtje, H.D.4
Mohr, K.5
-
64
-
-
0042530487
-
3 receptor and greatly impair receptor/G protein coupling
-
DOI 10.1074/jbc.M304991200
-
Schmidt C, Li B, Bloodworth L, Erlenbach I, Zeng FY, Wess J. Random mutagenesis of the M3 muscarinic acetylcholine receptor expressed in yeast. Identification of point mutations that 'silence' a constitutively active mutant M3 receptor and greatly impair receptor/G protein coupling. J. Biol. Chem. 278(32), 30248-30260 (2003). (Pubitemid 36962419)
-
(2003)
Journal of Biological Chemistry
, vol.278
, Issue.32
, pp. 30248-30260
-
-
Schmidt, C.1
Li, B.2
Bloodworth, L.3
Erlenbach, I.4
Zeng, F.-Y.5
Wess, J.6
-
65
-
-
0031468129
-
Site-directed mutagenesis on the m2 muscarinic acetylcholine receptor: The significance of Tyr403 in the binding of agonists and functional coupling
-
Vogel WK, Sheehan DM, Schimerlik MI. Site-directed mutagenesis on the m2 muscarinic acetylcholine receptor: the significance of Tyr403 in the binding of agonists and functional coupling. Mol. Pharmacol. 52(6), 1087-1094 (1997). (Pubitemid 28013728)
-
(1997)
Molecular Pharmacology
, vol.52
, Issue.6
, pp. 1087-1094
-
-
Vogel, W.K.1
Sheehan, D.M.2
Schimerlik, M.I.3
-
66
-
-
0032756999
-
Alanine-scanning mutagenesis of transmembrane domain 6 of the M 1 muscarinic acetylcholine receptor suggests that Tyr381 plays key roles in receptor function
-
Ward SD, Curtis CA, Hulme EC. Alanine-scanning mutagenesis of transmembrane domain 6 of the M(1) muscarinic acetylcholine receptor suggests that Tyr381 plays key roles in receptor function. Mol. Pharmacol. 56(5), 1031-1041 (1999).
-
(1999)
Mol. Pharmacol.
, vol.56
, Issue.5
, pp. 1031-1041
-
-
Ward, S.D.1
Curtis, C.A.2
Hulme, E.C.3
-
67
-
-
0037127315
-
3 muscarinic acetylcholine receptor activation probed by the use of an in situ disulfide cross-linking strategy
-
DOI 10.1074/jbc.M107647200
-
Ward SD, Hamdan FF, Bloodworth LM, Wess J. Conformational changes that occur during M3 muscarinic acetylcholine receptor activation probed by the use of an in situ disulfide cross-linking strategy. J. Biol. Chem. 277(3), 2247-2257 (2002). (Pubitemid 34968812)
-
(2002)
Journal of Biological Chemistry
, vol.277
, Issue.3
, pp. 2247-2257
-
-
Ward, S.D.C.1
Hamdan, F.F.2
Bloodworth, L.M.3
Wess, J.4
-
68
-
-
0026040728
-
Site-directed mutagenesis of the m3 muscarinic receptor: Identification of a series of threonine and tyrosine residues involved in agonist but not antagonist binding
-
Wess J, Gdula D, Brann MR. Site-directed mutagenesis of the m3 muscarinic receptor: identification of a series of threonine and tyrosine residues involved in agonist but not antagonist binding. EMBO J. 10(12), 3729-3734 (1991). (Pubitemid 21905400)
-
(1991)
EMBO Journal
, vol.10
, Issue.12
, pp. 3729-3734
-
-
Wess, J.1
Gdula, D.2
Brann, M.R.3
-
69
-
-
0026701973
-
Role of conserved threonine and tyrosine residues in acetylcholine binding and muscarinic receptor activation a study with m3 muscarinic receptor point mutants
-
Wess J, Maggio R, Palmer JR, Vogel Z. Role of conserved threonine and tyrosine residues in acetylcholine binding and muscarinic receptor activation. A study with m3 muscarinic receptor point mutants. J. Biol. Chem. 267(27), 19313-19319 (1992).
-
(1992)
J. Biol. Chem.
, vol.267
, Issue.27
, pp. 19313-19319
-
-
Wess, J.1
Maggio, R.2
Palmer, J.R.3
Vogel, Z.4
-
70
-
-
13944255377
-
Structure-based drug discovery using GPCR homology modeling: Successful virtual screening for antagonists of the alpha1A adrenergic receptor
-
DOI 10.1021/jm0491804
-
Evers A, Klabunde T. Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the a1A adrenergic receptor. J. Med. Chem. 48(4), 1088-1097 (2005). (Pubitemid 40270452)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.4
, pp. 1088-1097
-
-
Evers, A.1
Klabunde, T.2
-
71
-
-
0037020329
-
Drug design strategies for targeting G-protein-coupled receptors
-
DOI 10.1002/1439-7633(20021004)3:10<928::AID-CBIC928>3.0.CO;2-5
-
Klabunde T, Hessler G. Drug design strategies for targeting G-protein-coupled receptors. Chembiochem. 3(10), 928-944 (2002). (Pubitemid 35189597)
-
(2002)
ChemBioChem
, vol.3
, Issue.10
, pp. 928-944
-
-
Klabunde, T.1
Hessler, G.2
-
72
-
-
65649104052
-
Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening
-
Klabunde T, Giegerich C, Evers A. Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening. J. Med. Chem. 52(9), 2923-2932 (2009).
-
(2009)
J. Med. Chem.
, vol.52
, Issue.9
, pp. 2923-2932
-
-
Klabunde, T.1
Giegerich, C.2
Evers, A.3
-
73
-
-
1642581026
-
Performance of 3D-Database Molecular Docking Studies into Homology Models
-
DOI 10.1021/jm0300781
-
Oshiro C, Bradley EK, Eksterowicz J et al. Performance of 3D-database molecular docking studies into homology models. J. Med. Chem. 47(3), 764-767 (2004). (Pubitemid 38129734)
-
(2004)
Journal of Medicinal Chemistry
, vol.47
, Issue.3
, pp. 764-767
-
-
Oshiro, C.1
Bradley, E.K.2
Eksterowicz, J.3
Evensen, E.4
Lamb, M.L.5
Lanctot, J.K.6
Putta, S.7
Stanton, R.8
Grootenhuis, P.D.J.9
-
74
-
-
77952003777
-
Homology modeling and docking evaluation of aminergic G protein-coupled receptors
-
McRobb FM, Capuano B, Crosby IT, Chalmers DK, Yuriev E. Homology modeling and docking evaluation of aminergic G protein-coupled receptors. J. Chem. Inf. Model. 50(4), 626-637 (2010).
-
(2010)
J. Chem. Inf. Model.
, vol.50
, Issue.4
, pp. 626-637
-
-
McRobb, F.M.1
Capuano, B.2
Crosby, I.T.3
Chalmers, D.K.4
Yuriev, E.5
-
75
-
-
3843095917
-
G protein-coupled receptors: In silico, drug discovery in 3D
-
DOI 10.1073/pnas.0401862101
-
Becker OM, Marantz Y, Shacham S et al. G protein-coupled receptors: in silico drug discovery in 3D. Proc. Natl Acad. Sci. USA 101(31), 11304-11309 (2004). (Pubitemid 39038342)
-
(2004)
Proceedings of the National Academy of Sciences of the United States of America
, vol.101
, Issue.31
, pp. 11304-11309
-
-
Becker, O.M.1
Marantz, Y.2
Shacham, S.3
Inbal, B.4
Heifetz, A.5
Kalid, O.6
Bar-Haim, S.7
Warshaviak, D.8
Fichman, M.9
Noiman, S.10
-
76
-
-
33744832614
-
1A agonist (PRX-00023) for the treatment of anxiety and depression
-
DOI 10.1021/jm0508641
-
Becker OM, Dhanoa DS, Marantz Y et al. An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression. J. Med. Chem. 49(11), 3116-3135 (2006). (Pubitemid 43830511)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.11
, pp. 3116-3135
-
-
Becker, O.M.1
Dhanoa, D.S.2
Marantz, Y.3
Chen, D.4
Shacham, S.5
Cheruku, S.6
Heifetz, A.7
Mohanty, P.8
Fichman, M.9
Sharadendu, A.10
Nudelman, R.11
Kauffman, M.12
Noiman, S.13
-
77
-
-
34547691007
-
GPCR structure-based virtual screening approach for CB2 antagonist search
-
DOI 10.1021/ci7000814
-
Chen JZ, Wang J, Xie XQ. GPCR structure-based virtual screening approach for CB2 antagonist search. J. Chem. Inf. Model. 47(4), 1626-1637 (2007). (Pubitemid 47210066)
-
(2007)
Journal of Chemical Information and Modeling
, vol.47
, Issue.4
, pp. 1626-1637
-
-
Chen, J.-Z.1
Wang, J.2
Xie, X.-Q.3
-
78
-
-
23944454816
-
Virtual screening of biogenic amine-binding G-protein coupled receptors: Comparative evaluation of protein- and ligand-based virtual screening protocols
-
DOI 10.1021/jm050090o
-
Evers A, Hessler G, Matter H, Klabunde T. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols. J. Med. Chem. 48(17), 5448-5465 (2005). (Pubitemid 41209243)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.17
, pp. 5448-5465
-
-
Evers, A.1
Hessler, G.2
Matter, H.3
Klabunde, T.4
-
79
-
-
33947727830
-
Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening
-
DOI 10.1021/jm061389p
-
Kellenberger E, Springael JY, Parmentier M, Hachet-Haas M, Galzi JL, Rognan D. Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening. J. Med. Chem. 50(6), 1294-1303 (2007). (Pubitemid 46504976)
-
(2007)
Journal of Medicinal Chemistry
, vol.50
, Issue.6
, pp. 1294-1303
-
-
Kellenberger, E.1
Springael, J.-Y.2
Parmentier, M.3
Hachet-Haas, M.4
Galzi, J.-L.5
Rognan, D.6
-
80
-
-
30444455296
-
1A receptor using automated docking of bioactive compounds with defined geometry
-
DOI 10.1021/jm050826h
-
Nowak M, Kolaczkowski M, Pawlowski M, Bojarski AJ. Homology modeling of the serotonin 5-HT1A receptor using automated docking of bioactive compounds with defined geometry. J. Med. Chem. 49(1), 205-214 (2006). (Pubitemid 43077334)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.1
, pp. 205-214
-
-
Nowak, M.1
Kolaczkowski, M.2
Pawlowski, M.3
Bojarski, A.J.4
-
81
-
-
39149097541
-
Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening
-
DOI 10.1021/jm7012425
-
Tikhonova IG, Sum CS, Neumann S et al. Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening. J. Med. Chem. 51(3), 625-633 (2008). (Pubitemid 351252290)
-
(2008)
Journal of Medicinal Chemistry
, vol.51
, Issue.3
, pp. 625-633
-
-
Tikhonova, I.G.1
Chi, S.S.2
Neumann, S.3
Engel, S.4
Raaka, B.M.5
Costanzi, S.6
Gershengorn, M.C.7
-
82
-
-
67649518035
-
Homology modeling in drug discovery: Current trends and applications
-
Cavasotto CN, Phatak SS. Homology modeling in drug discovery: current trends and applications. Drug Discov. Today 14(13-14), 676-683 (2009).
-
(2009)
Drug Discov. Today
, vol.14
, Issue.13-14
, pp. 676-683
-
-
Cavasotto, C.N.1
Phatak, S.S.2
-
83
-
-
72849148589
-
Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands
-
Costanzi S, Tikhonova IG, Harden TK, Jacobson KA. Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands. J. Comput. Aided Mol. Des. 23(11), 747-754 (2009).
-
(2009)
J. Comput. Aided Mol. Des.
, vol.23
, Issue.11
, pp. 747-754
-
-
Costanzi, S.1
Tikhonova, I.G.2
Harden, T.K.3
Jacobson, K.A.4
-
84
-
-
53549100463
-
Refined docking as a valuable tool for lead optimization: Application to histamine H3 receptor antagonists
-
Levoin N, Calmels T, Poupardin-Olivier O et al. Refined docking as a valuable tool for lead optimization: application to histamine H3 receptor antagonists. Arch. Pharm. (Weinheim) 341(10), 610-623 (2008).
-
(2008)
Arch. Pharm. Weinheim
, vol.341
, Issue.10
, pp. 610-623
-
-
Levoin, N.1
Calmels, T.2
Poupardin-Olivier, O.3
-
85
-
-
47049130668
-
Crystal structure of the ligand-free G-protein-coupled receptor opsin
-
DOI 10.1038/nature07063, PII NATURE07063
-
Park JH, Scheerer P, Hofmann KP, Choe HW, Ernst OP. Crystal structure of the ligand-free G-protein-coupled receptor opsin. Nature 454(7201), 183-187 (2008). (Pubitemid 351969893)
-
(2008)
Nature
, vol.454
, Issue.7201
, pp. 183-187
-
-
Park, J.H.1
Scheerer, P.2
Hofmann, K.P.3
Choe, H.-W.4
Ernst, O.P.5
-
86
-
-
50149116588
-
Agonist-induced conformational changes in bovine rhodopsin: Insight into activation of G-protein-coupled receptors
-
Bhattacharya S, Hall SE, Vaidehi N. Agonist-induced conformational changes in bovine rhodopsin: insight into activation of G-protein-coupled receptors. J. Mol. Biol. 382(2), 539-555 (2008).
-
(2008)
J. Mol. Biol.
, vol.382
, Issue.2
, pp. 539-555
-
-
Bhattacharya, S.1
Hall, S.E.2
Vaidehi, N.3
-
87
-
-
33144459843
-
Molecular mechanism of 7TM receptor activation - A global toggle switch model
-
DOI 10.1146/annurev.pharmtox.46.120604.141218
-
Schwartz TW, Frimurer TM, Holst B, Rosenkilde MM, Elling CE. Molecular mechanism of 7TM receptor activation - a global toggle switch model. Annu. Rev. Pharmacol. Toxicol. 46, 481-519 (2006). (Pubitemid 43271198)
-
(2006)
Annual Review of Pharmacology and Toxicology
, vol.46
, pp. 481-519
-
-
Schwartz, T.W.1
Frimurer, T.M.2
Holst, B.3
Rosenkilde, M.M.4
Elling, C.E.5
-
88
-
-
77950896139
-
G protein coupled receptors - in silico drug discovery and design
-
Sela I, Golan G, Strajbl M et al. G protein coupled receptors - in silico drug discovery and design. Curr. Top. Med. Chem. 10(6), 638-656 (2010).
-
(2010)
Curr. Top. Med. Chem.
, vol.10
, Issue.6
, pp. 638-656
-
-
Sela, I.1
Golan, G.2
Strajbl, M.3
-
89
-
-
0141678849
-
CCR2: Characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach
-
DOI 10.1021/jm030862l
-
Berkhout TA, Blaney FE, Bridges AM et al. CCR2: characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach. J. Med. Chem. 46(19), 4070-4086 (2003). (Pubitemid 37122451)
-
(2003)
Journal of Medicinal Chemistry
, vol.46
, Issue.19
, pp. 4070-4086
-
-
Berkhout, T.A.1
Blaney, F.E.2
Bridges, A.M.3
Cooper, D.G.4
Forbes, I.T.5
Gribble, A.D.6
Groot, P.H.E.7
Hardy, A.8
Ife, R.J.9
Kaur, R.10
Moores, K.E.11
Shillito, H.12
Willetts, J.13
Witherington, J.14
-
90
-
-
65749087661
-
Chapter 12 The use of receptor homology modeling to facilitate the design of selective chemokine receptor antagonists
-
Carter PH, Tebben AJ. Chapter 12. The use of receptor homology modeling to facilitate the design of selective chemokine receptor antagonists. Methods Enzymol. 461, 249-279 (2009).
-
(2009)
Methods Enzymol.
, vol.461
, pp. 249-279
-
-
Carter, P.H.1
Tebben, A.J.2
-
91
-
-
66849115400
-
Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5
-
Hall SE, Mao A, Nicolaidou V et al. Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5. Mol. Pharmacol. 75(6), 1325-1336 (2009).
-
(2009)
Mol. Pharmacol.
, vol.75
, Issue.6
, pp. 1325-1336
-
-
Hall, S.E.1
Mao, A.2
Nicolaidou, V.3
-
92
-
-
77952852059
-
Rational design of CCR2 antagonists: A survey of computational studies
-
Sobhia ME, Singh R, Kare P, Chavan S. Rational design of CCR2 antagonists: a survey of computational studies. Expert Opin. Drug Discov. 5(6), 543-557 (2010).
-
(2010)
Expert Opin. Drug Discov.
, vol.5
, Issue.6
, pp. 543-557
-
-
Sobhia, M.E.1
Singh, R.2
Kare, P.3
Chavan, S.4
-
93
-
-
33748747498
-
Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation
-
DOI 10.1074/jbc.M601389200
-
Vaidehi N, Schlyer S, Trabanino RJ et al. Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation. J. Biol. Chem. 281(37), 27613-27620 (2006). (Pubitemid 44401786)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.37
, pp. 27613-27620
-
-
Vaidehi, N.1
Schlyer, S.2
Trabanino, R.J.3
Floriano, W.B.4
Abrol, R.5
Sharma, S.6
Kochanny, M.7
Koovakat, S.8
Dunning, L.9
Liang, M.10
Fox, J.M.11
De Mendonca, F.L.12
Pease, J.E.13
Goddard III, W.A.14
Horuk, R.15
-
94
-
-
34948844197
-
Small molecule receptor agonists and antagonists of CCR3 provide insight into mechanisms of chemokine receptor activation
-
DOI 10.1074/jbc.M703255200
-
Wise EL, Duchesnes C, da Fonseca PC, Allen RA, Williams TJ, Pease JE. Small molecule receptor agonists and antagonists of CCR3 provide insight into mechanisms of chemokine receptor activation. J. Biol. Chem. 282(38), 27935-27943 (2007). (Pubitemid 47529544)
-
(2007)
Journal of Biological Chemistry
, vol.282
, Issue.38
, pp. 27935-27943
-
-
Wise, E.L.1
Duchesnes, C.2
Da Fonseca, P.C.A.3
Allen, R.A.4
Williams, T.J.5
Pease, J.E.6
-
95
-
-
51349163414
-
Molecular modeling aided design of nicotinic acid receptor GPR109A agonists
-
Deng Q, Frie JL, Marley DM et al. Molecular modeling aided design of nicotinic acid receptor GPR109A agonists. Bioorg. Med. Chem. Lett. 18(18), 4963-4967 (2008).
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, Issue.18
, pp. 4963-4967
-
-
Deng, Q.1
Frie, J.L.2
Marley, D.M.3
-
96
-
-
0033873929
-
Comparative protein structure modeling of genes and genomes
-
DOI 10.1146/annurev.biophys.29.1.291
-
Marti-Renom MA, Stuart AC, Fiser A, Sanchez R, Melo F, Sali A. Comparative protein structure modeling of genes and genomes. Annu. Rev. Biophys. Biomol. Struct. 29(1), 291-325 (2000). (Pubitemid 30599596)
-
(2000)
Annual Review of Biophysics and Biomolecular Structure
, vol.29
, pp. 291-325
-
-
Marti-Renom, M.A.1
Stuart, A.C.2
Fiser, A.3
Sanchez, R.4
Melo, F.5
Sali, A.6
-
97
-
-
35648974717
-
Phenylpiperidine-benzoxazinones as urotensin-II receptor antagonists: Synthesis, SAR, and in vivo assessment
-
DOI 10.1016/j.bmcl.2007.09.092, PII S0960894X07011468
-
Luci DK, Ghosh S, Smith CE et al. Phenylpiperidine-benzoxazinones as urotensin-II receptor antagonists: synthesis, SAR, and in vivo assessment. Bioorg. Med. Chem. Lett. 17(23), 6489-6492 (2007). (Pubitemid 350026338)
-
(2007)
Bioorganic and Medicinal Chemistry Letters
, vol.17
, Issue.23
, pp. 6489-6492
-
-
Luci, D.K.1
Ghosh, S.2
Smith, C.E.3
Qi, J.4
Wang, Y.5
Haertlein, B.6
Parry, T.J.7
Li, J.8
Almond Jr., H.R.9
Minor, L.K.10
Damiano, B.P.11
Kinney, W.A.12
Maryanoff, B.E.13
Lawson, E.C.14
-
98
-
-
0037118881
-
Structure-function analysis of urotensin II and its use in the construction of a ligand-receptor working model
-
DOI 10.1002/1521-3773(20020816)41:16<2940::AID-ANIE2940>3.0.CO;2-M
-
Kinney WA, Almond Jr HR, Qi J et al. Structure-function analysis of urotensin II and its use in the construction of a ligand-receptor working model. Angew. Chem. Int. Ed. Engl. 41(16), 2940-2944 (2002). (Pubitemid 34966554)
-
(2002)
Angewandte Chemie - International Edition
, vol.41
, Issue.16
, pp. 2940-2944
-
-
Kinney, W.A.1
Almond Jr., H.R.2
Qi, J.3
Smith, C.E.4
Santulli, R.J.5
De Garavilla, L.6
Andrade-Gordon, P.7
Cho, D.S.8
Everson, A.M.9
Feinstein, M.A.10
Leung, P.A.11
Maryanoff, B.E.12
-
99
-
-
34447508092
-
1 antagonists: Combining receptor-based modeling and QSAR for a quantitative prediction of the biological activity based on consensus scoring
-
DOI 10.1021/jm0700971
-
Costanzi S, Tikhonova IG, Ohno M et al. P2Y1 antagonists: combining receptor-based modeling and QSAR for a quantitative prediction of the biological activity based on consensus scoring. J. Med. Chem. 50(14), 3229-3241 (2007). (Pubitemid 47065972)
-
(2007)
Journal of Medicinal Chemistry
, vol.50
, Issue.14
, pp. 3229-3241
-
-
Costanzi, S.1
Tikhonova, I.G.2
Ohno, M.3
Eun, J.R.4
Joshi, B.V.5
Colson, A.-O.6
Houston, D.7
Maddileti, S.8
Harden, T.K.9
Jacobson, K.A.10
-
100
-
-
0028155689
-
A new method for predicting binding affinity in computer-aided drug design
-
Aqvist J, Medina C, Samuelsson JE. A new method for predicting binding affinity in computer-aided drug design. Protein Eng. 7(3), 385-391 (1994). (Pubitemid 24063137)
-
(1994)
Protein Engineering
, vol.7
, Issue.3
, pp. 385-391
-
-
Aqvist, J.1
Medina, C.2
Samuelsson, J.-E.3
-
101
-
-
61349201712
-
14-O-Heterocyclic-substituted naltrexone derivatives as non-peptide mu opioid receptor selective antagonists: Design syn thesis and biological studies
-
Li G, Aschenbach LC, He H, Selley DE, Zhang Y. 14-O-Heterocyclic- substituted naltrexone derivatives as non-peptide mu opioid receptor selective antagonists: design, synthesis, and biological studies. Bioorg. Med. Chem. Lett. 19(6), 1825-1829 (2009).
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, Issue.6
, pp. 1825-1829
-
-
Li, G.1
Aschenbach, L.C.2
He, H.3
Selley, D.E.4
Zhang, Y.5
-
102
-
-
77949412227
-
1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin- 2-ones: A novel series of potent calcium-sensing receptor antagonists
-
Widler L, Altmann E, Beerli R et al. 1-Alkyl-4-phenyl-6-alkoxy-1H- quinazolin- 2-ones: a novel series of potent calcium-sensing receptor antagonists. J. Med. Chem. 53(5), 2250-2263 (2010).
-
(2010)
J. Med. Chem.
, vol.53
, Issue.5
, pp. 2250-2263
-
-
Widler, L.1
Altmann, E.2
Beerli, R.3
-
103
-
-
1342346546
-
Homology Modeling of the Transmembrane Domain of the Human Calcium Sensing Receptor and Localization of an Allosteric Binding Site
-
DOI 10.1074/jbc.M307191200
-
Miedlich SU, Gama L, Seuwen K, Wolf RM, Breitwieser GE. Homology modeling of the transmembrane domain of the human calcium sensing receptor and localization of an allosteric binding site. J. Biol. Chem. 279(8), 7254-7263 (2004). (Pubitemid 38248875)
-
(2004)
Journal of Biological Chemistry
, vol.279
, Issue.8
, pp. 7254-7263
-
-
Miedlich, S.U.1
Gama, L.2
Seuwen, K.3
Wolf, R.M.4
Breitwieser, G.E.5
-
104
-
-
22844447651
-
2 receptor
-
DOI 10.1016/j.bmcl.2005.05.049, PII S0960894X05006803, G-Protein Coupled Receptors in Drug Discovery
-
Yates AS, Doughty SW, Kendall DA, Kellam B. Chemical modification of the naphthoyl 3-position of JWH-015: in search of a fluorescent probe to the cannabinoid CB2 receptor. Bioorg. Med. Chem. Lett. 15(16), 3758-3762 (2005). (Pubitemid 41038973)
-
(2005)
Bioorganic and Medicinal Chemistry Letters
, vol.15
, Issue.16
, pp. 3758-3762
-
-
Yates, A.S.1
Doughty, S.W.2
Kendall, D.A.3
Kellam, B.4
-
105
-
-
66249143720
-
Revisiting automated G-protein coupled receptor modeling: The benefit of additional template structures for a neurokinin-1 receptor model
-
Kneissl B, Leonhardt B, Hildebrandt A, Tautermann CS. Revisiting automated G-protein coupled receptor modeling: the benefit of additional template structures for a neurokinin-1 receptor model. J. Med. Chem. 52(10), 3166-3173 (2009).
-
(2009)
J. Med. Chem.
, vol.52
, Issue.10
, pp. 3166-3173
-
-
Kneissl, B.1
Leonhardt, B.2
Hildebrandt, A.3
Tautermann, C.S.4
-
106
-
-
44349091007
-
Using multiple templates to improve quality of homology models in automated homology modeling
-
DOI 10.1110/ps.073344908
-
Larsson P, Wallner B, Lindahl E, Elofsson A. Using multiple templates to improve quality of homology models in automated homology modeling. Protein Sci. 17(6), 990-1002 (2009). (Pubitemid 351749205)
-
(2008)
Protein Science
, vol.17
, Issue.6
, pp. 990-1002
-
-
Larsson, P.1
Wallner, B.2
Lindahl, E.3
Elofsson, A.4
-
107
-
-
36849042268
-
An overview of recent developments in GPCR modelling: Methods and validation
-
Martinelli A, Tuccinardi T. An overview of recent developments in GPCR modelling: methods and validation. Expert Opin. Drug Discov. 1(5), 459-476 (2006).
-
(2006)
Expert Opin. Drug Discov.
, vol.1
, Issue.5
, pp. 459-476
-
-
Martinelli, A.1
Tuccinardi, T.2
-
108
-
-
41149173662
-
Advances in the development and application of computational methodologies for structural modeling of G-protein-coupled receptors
-
DOI 10.1517/17460441.3.3.343
-
Mobarec JC, Filizola M. Advances in the development and application of computational methodologies for structural modeling of G-protein-coupled receptors. Expert Opin. Drug Discov. 3(3), 343-355 (2008). (Pubitemid 351425377)
-
(2008)
Expert Opinion on Drug Discovery
, vol.3
, Issue.3
, pp. 343-355
-
-
Mobarec, J.C.1
Filizola, M.2
-
109
-
-
0027136282
-
Comparative protein modelling by satisfaction of spatial restraints
-
DOI 10.1006/jmbi.1993.1626
-
Sali A, Blundell TL. Comparative protein modeling by satisfaction of spatial restraints. J. Mol. Biol. 234(3), 779-815 (1993). (Pubitemid 24007801)
-
(1993)
Journal of Molecular Biology
, vol.234
, Issue.3
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
110
-
-
0035812694
-
Protein structure prediction and structural genomics
-
DOI 10.1126/science.1065659
-
Baker D, Sali A. Protein Structure prediction and structural genomics. Science 294(5540), 93-96 (2001). (Pubitemid 32952955)
-
(2001)
Science
, vol.294
, Issue.5540
, pp. 93-96
-
-
Baker, D.1
Sali, A.2
-
112
-
-
1942487807
-
First principles predictions of the structure and function of G-protein-coupled receptors: Validation for bovine rhodopsin
-
Trabanino RJ, Hall SE, Vaidehi N, Floriano WB, Kam VW, Goddard WA III. First principles predictions of the structure and function of G-protein-coupled receptors: validation for bovine rhodopsin. Biophys. J. 86(4), 1904-1921 (2004). (Pubitemid 38524387)
-
(2004)
Biophysical Journal
, vol.86
, Issue.4
, pp. 1904-1921
-
-
Trabanino, R.J.1
Hall, S.E.2
Vaidehi, N.3
Floriano, W.B.4
Kam, V.W.T.5
Goddard III, W.A.6
-
113
-
-
33845900510
-
3 receptor: Agonist induced conformational changes of Trp243
-
DOI 10.1007/s10822-006-9088-5
-
Hallmen C, Wiese M. Molecular dynamics simulation of the human adenosine A3 receptor: agonist induced conformational changes of Trp243. J. Comput. Aided Mol. Des. 20(10-11), 673-684 (2006). (Pubitemid 46023929)
-
(2006)
Journal of Computer-Aided Molecular Design
, vol.20
, Issue.10-11
, pp. 673-684
-
-
Hallmen, C.1
Wiese, M.2
-
114
-
-
33751086742
-
1) receptor: Insights into the molecular determinants of telmisartan binding
-
DOI 10.1002/prot.21196
-
Patny A, Desai PV, Avery MA. Ligand-supported homology modeling of the human angiotensin II type 1 (AT1) receptor: insights into the molecular determinants of telmisartan binding. Proteins 65(4), 824-842 (2006). (Pubitemid 44772882)
-
(2006)
Proteins: Structure, Function and Genetics
, vol.65
, Issue.4
, pp. 824-842
-
-
Patny, A.1
Desai, P.V.2
Avery, M.A.3
-
115
-
-
34547659996
-
Large-scale molecular dynamics of a G protein-coupled receptor the human 5-HT4 serotonin receptor in a lipid bilayer
-
Rivail L, Chipot C, Maigret B, Bestel I, Sicsic S, Tarek M. Large-scale molecular dynamics of a G protein-coupled receptor, the human 5-HT4 serotonin receptor, in a lipid bilayer. J. Mol. Struct: THEOCHEM 817(1-3), 19-26 (2007).
-
(2007)
J. Mol. Struct: THEOCHEM
, vol.817
, Issue.1-3
, pp. 19-26
-
-
Rivail, L.1
Chipot, C.2
Maigret, B.3
Bestel, I.4
Sicsic, S.5
Tarek, M.6
-
116
-
-
48749113684
-
Atomistic insights into rhodopsin activation from a dynamic model
-
Tikhonova IG, Best RB, Engel S, Gershengorn MC, Hummer G, Costanzi S. Atomistic insights into rhodopsin activation from a dynamic model. J. Am. Chem. Soc. 130(31), 10141-10149 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, Issue.31
, pp. 10141-10149
-
-
Tikhonova, I.G.1
Best, R.B.2
Engel, S.3
Gershengorn, M.C.4
Hummer, G.5
Costanzi, S.6
-
117
-
-
53349103176
-
Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site
-
Wolf S, Böckmann M, Höweler U, Schlitter J, Gerwert K. Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site. FEBS Letters 582(23-24), 3335-3342 (2008).
-
(2008)
FEBS Letters
, vol.582
, Issue.23-24
, pp. 3335-3342
-
-
Wolf, S.1
Böckmann, M.2
Höweler, U.3
Schlitter, J.4
Gerwert, K.5
-
118
-
-
58149234226
-
Milestones in the activation of G protein-coupled receptor insights from molecular-dynamics simulations into the human cholcystokinin receptor-1
-
Chipot C. Milestones in the activation of G protein-coupled receptor. Insights from molecular-dynamics simulations into the human cholcystokinin receptor-1. J. Chem. Theory Comput. 4(12), 2150-2159 (2008).
-
(2008)
J. Chem. Theory Comput.
, vol.4
, Issue.12
, pp. 2150-2159
-
-
Chipot, C.1
-
119
-
-
66149189210
-
G protein inactive and active forms investigated by simulation methods
-
Khafizov K, Lattanzi G, Carloni P. G protein inactive and active forms investigated by simulation methods. Proteins 75(4), 919-930 (2009).
-
(2009)
Proteins
, vol.75
, Issue.4
, pp. 919-930
-
-
Khafizov, K.1
Lattanzi, G.2
Carloni, P.3
-
120
-
-
77956638608
-
Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics
-
Provasi D, Filizola M. Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics. Biophys. J. 98(10), 2347-2355 (2010).
-
(2010)
Biophys. J.
, vol.98
, Issue.10
, pp. 2347-2355
-
-
Provasi, D.1
Filizola, M.2
-
121
-
-
6044260116
-
Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model
-
DOI 10.1021/jm0311487
-
Evers A, Klebe G. Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model. J. Med. Chem. 47(22), 5381-5392 (2004). (Pubitemid 39382788)
-
(2004)
Journal of Medicinal Chemistry
, vol.47
, Issue.22
, pp. 5381-5392
-
-
Evers, A.1
Klebe, G.2
-
122
-
-
28644447577
-
2c agonists: Comparison of structure-based virtual screening with ligand-based search methods
-
DOI 10.1002/prot.20651
-
Bissantz C, Schalon C, Guba W, Stahl M. Focused library design in GPCR projects on the example of 5-HT(2c) agonists: comparison of structure-based virtual screening with ligand-based search methods. Proteins 61(4), 938-952 (2005). (Pubitemid 41753164)
-
(2005)
Proteins: Structure, Function and Genetics
, vol.61
, Issue.4
, pp. 938-952
-
-
Bissantz, C.1
Schalon, C.2
Guba, W.3
Stahl, M.4
-
123
-
-
65549108234
-
Virtual screening - what does it give us
-
Köppen H. Virtual screening - what does it give us? Curr. Opin. Drug Discov. Devel. 12(3), 397-407 (2009).
-
(2009)
Curr. Opin. Drug Discov. Devel.
, vol.12
, Issue.3
, pp. 397-407
-
-
Köppen, H.1
|