-
1
-
-
0034604451
-
-
Palczewski K., Kumasaka T., Hori T., Behnke C.A., Motoshima H., Fox B.A., Le Trong I., Teller D.C., Okada T., and Stenkamp R.E. Science 289 (2000) 739
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(2000)
Science
, vol.289
, pp. 739
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-
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
-
2
-
-
0035800032
-
-
Teller D.C., Okada T., Behnke C.A., Palczewski K., and Stenkamp R.E. Biochemistry 40 (2001) 7761
-
(2001)
Biochemistry
, vol.40
, pp. 7761
-
-
Teller, D.C.1
Okada, T.2
Behnke, C.A.3
Palczewski, K.4
Stenkamp, R.E.5
-
3
-
-
36448995359
-
-
Cherezov V., Rosenbaum D.M., Hanson M.A., Rasmussen S.G.F., Thain F.S., Kobilka T.S., Choi H.-J., Kuhn P., Weis W.I., Kobilka B.K., and Stevens R.C. Science 318 (2007) 1258
-
(2007)
Science
, vol.318
, pp. 1258
-
-
Cherezov, V.1
Rosenbaum, D.M.2
Hanson, M.A.3
Rasmussen, S.G.F.4
Thain, F.S.5
Kobilka, T.S.6
Choi, H.-J.7
Kuhn, P.8
Weis, W.I.9
Kobilka, B.K.10
Stevens, R.C.11
-
4
-
-
36448978229
-
-
Coordinates are from PDB entry 2RH1
-
Rosenbaum D.M., Cherezov V., Hanson M.A., Rasmussen S.G.F., Thain F.S., Kobilka T.S., Choi H.-J., Yao X.-J., Weis W.I., Stevens R.C., and Kobilka B.K. Science 318 (2007) 1266 Coordinates are from PDB entry 2RH1
-
(2007)
Science
, vol.318
, pp. 1266
-
-
Rosenbaum, D.M.1
Cherezov, V.2
Hanson, M.A.3
Rasmussen, S.G.F.4
Thain, F.S.5
Kobilka, T.S.6
Choi, H.-J.7
Yao, X.-J.8
Weis, W.I.9
Stevens, R.C.10
Kobilka, B.K.11
-
5
-
-
36248970132
-
-
Protein Data Bank entry 2vt4
-
Rasmussen S.G.F., Choi H.-J., Rosenbaum D.M., Kobilka T.S., Thain F.S., Edwards P.C., Burghammer M., Ratnala V.R., Sanishvili R., Fischetti R.F., Schertler G.F., Weis W.I., and Kobilka B.K. Nature 450 (2007) 383 Protein Data Bank entry 2vt4
-
(2007)
Nature
, vol.450
, pp. 383
-
-
Rasmussen, S.G.F.1
Choi, H.-J.2
Rosenbaum, D.M.3
Kobilka, T.S.4
Thain, F.S.5
Edwards, P.C.6
Burghammer, M.7
Ratnala, V.R.8
Sanishvili, R.9
Fischetti, R.F.10
Schertler, G.F.11
Weis, W.I.12
Kobilka, B.K.13
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6
-
-
47949129742
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-
Warne T., Serrano-Vega M.J., Baker J.G., Moukhametzianov R., Edwards P.C., Henderson R., Leslie A.G.W., Tate C.G., and Schertler G.F.X. Nature 454 (2008) 486
-
(2008)
Nature
, vol.454
, pp. 486
-
-
Warne, T.1
Serrano-Vega, M.J.2
Baker, J.G.3
Moukhametzianov, R.4
Edwards, P.C.5
Henderson, R.6
Leslie, A.G.W.7
Tate, C.G.8
Schertler, G.F.X.9
-
8
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-
53349100381
-
-
note
-
Glide v4.0 with Maestro v7.5, Glide v4.5 with Maestro v8.0, and Jaguar v7.0; Schrödinger, LLC:2005, Portland, Oregon, US.
-
-
-
-
9
-
-
53349117100
-
-
note
-
Protein Data Bank entry 2rh1.
-
-
-
-
10
-
-
53349102534
-
-
note
-
8 was used to adjust protonation states to pH 7. Some of the docked binding complexes using the commercial database contained obvious computational artifacts (e.g., strained geometries or clashes between the ligand and the protein) and were removed in the selection. Thus, the 150 selected compounds were taken from the 177 top-ranked structures, i.e., 22 were removed.
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-
-
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11
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-
44649172481
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Protein Data Bank entry 3d4s
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Hanson M.A., Cherezov V., Griffith M.T., Roth C.B., Jaakola V.P., Chien E.Y., Velasquez J., Kuhn P., and Stevens R.C. Structure 16 (2008) 897 Protein Data Bank entry 3d4s
-
(2008)
Structure
, vol.16
, pp. 897
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-
Hanson, M.A.1
Cherezov, V.2
Griffith, M.T.3
Roth, C.B.4
Jaakola, V.P.5
Chien, E.Y.6
Velasquez, J.7
Kuhn, P.8
Stevens, R.C.9
-
12
-
-
53349121476
-
-
note
-
50 values.
-
-
-
-
13
-
-
53349144811
-
-
note
-
i values using PRISM software (GraphPad Software, San Diego, CA).
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-
-
-
15
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-
33847653392
-
-
Floquet N., Richez C., Durand P., Maigret B., Badet B., and Badet-Denisot M.-A. Bioorg. Med. Chem. Lett. 17 (2007) 1966
-
(2007)
Bioorg. Med. Chem. Lett.
, vol.17
, pp. 1966
-
-
Floquet, N.1
Richez, C.2
Durand, P.3
Maigret, B.4
Badet, B.5
Badet-Denisot, M.-A.6
-
16
-
-
36949007602
-
-
Katritch V., Byrd C.M., Tseitin V., Dai D., Raush E., Totrov M., Abagyan R., and Hruby D.E. J. Comput. Aided Mol. Des. 21 (2007) 549
-
(2007)
J. Comput. Aided Mol. Des.
, vol.21
, pp. 549
-
-
Katritch, V.1
Byrd, C.M.2
Tseitin, V.3
Dai, D.4
Raush, E.5
Totrov, M.6
Abagyan, R.7
Hruby, D.E.8
-
17
-
-
53349109965
-
-
note
-
CORINA Molecular Networks. www.molecular-networks.de; Henkestraβe 91, 91052 Erlangen, Germany. Tel.: +49 9131 815668.
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