-
2
-
-
4644301430
-
The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-Å resolution
-
DOI 10.1074/jbc.C400293200
-
Yano, J. K.; Wester, M. R.; Schoch, G. A.; Griffin, K. J.; Stout, C. D.; Johnson, E. F. The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-angstrom resolution J. Biol. Chem. 2004, 279, 38091-38094 (Pubitemid 39295952)
-
(2004)
Journal of Biological Chemistry
, vol.279
, Issue.37
, pp. 38091-38094
-
-
Yano, J.K.1
Wester, M.R.2
Schoch, G.A.3
Griffin, K.J.4
Stout, C.D.5
Johnson, E.F.6
-
3
-
-
3442896773
-
Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone
-
DOI 10.1126/science.1099736
-
Williams, P. A.; Cosme, J.; Vinkovi-ç, D. M.; Ward, A.; Angove, H. C.; Day, P. J.; Vonrhein, C.; Tickle, I. J.; Jhoti, H. Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science 2004, 305, 683-686 (Pubitemid 39006760)
-
(2004)
Science
, vol.305
, Issue.5684
, pp. 683-686
-
-
Williams, P.A.1
Cosme, J.2
Matak Vinkovic, D.3
Ward, A.4
Angove, H.C.5
Day, P.J.6
Vonrhein, C.7
Tickle, I.J.8
Jhoti, H.9
-
4
-
-
77953932263
-
SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism
-
Rydberg, P.; Gloriam, D. E.; Zaretzki, J.; Breneman, C.; Olsen, L. SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism ACS Med. Chem. Lett. 2010, 1, 96-100
-
(2010)
ACS Med. Chem. Lett.
, vol.1
, pp. 96-100
-
-
Rydberg, P.1
Gloriam, D.E.2
Zaretzki, J.3
Breneman, C.4
Olsen, L.5
-
5
-
-
78449309981
-
The SMARTCyp cytochrome P450 metabolism prediction server
-
Rydberg, P.; Gloriam, D. E.; Olsen, L. The SMARTCyp cytochrome P450 metabolism prediction server Bioinformatics 2010, 26, 2988-2989
-
(2010)
Bioinformatics
, vol.26
, pp. 2988-2989
-
-
Rydberg, P.1
Gloriam, D.E.2
Olsen, L.3
-
6
-
-
33646092472
-
Crystal structure of human cytochrome P450 2D6
-
DOI 10.1074/jbc.M511232200
-
Rowland, P.; Blaney, F. E.; Smyth, M. G.; Jones, J. J.; Leydon, V. R.; Oxbrow, A. K.; Lewis, C. J.; Tennant, M. G.; Modi, S.; Eggleston, D. S.; Chenery, R. J.; Bridges, A. M. Crystal structure of human cytochrome P450 2D6 J. Biol. Chem. 2006, 281, 7614-7622 (Pubitemid 43847532)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.11
, pp. 7614-7622
-
-
Rowland, P.1
Blaney, F.E.2
Smyth, M.G.3
Jones, J.J.4
Leydon, V.R.5
Oxbrow, A.K.6
Lewis, C.J.7
Tennant, M.G.8
Modi, S.9
Eggleston, D.S.10
Chenery, R.J.11
Bridges, A.M.12
-
7
-
-
34447515639
-
Empirical regioselectivity models for human cytochromes P450 3A4, 2D6, and 2C9
-
DOI 10.1021/jm0613471
-
Sheridan, R. P.; Korzekwa, K. R.; Torres, R. A.; Walker, M. J. Empirical regioselectivity models for human cytochromes p450 3A4, 2D6, and 2C9 J. Med. Chem. 2007, 50, 3173-3184 (Pubitemid 47065966)
-
(2007)
Journal of Medicinal Chemistry
, vol.50
, Issue.14
, pp. 3173-3184
-
-
Sheridan, R.P.1
Korzekwa, K.R.2
Torres, R.A.3
Walker, M.J.4
-
8
-
-
0033529017
-
Novel approach to predicting P450-mediated drug metabolism: Development of a combined protein and pharmacophore model for CYP2D6
-
DOI 10.1021/jm981118h
-
de Groot, M. J.; Ackland, M. J.; Horne, V. A.; Alex, A. A.; Jones, B. C. Novel Approach To Predicting P450-Mediated Drug Metabolism:GÇë Development of a Combined Protein and Pharmacophore Model for CYP2D6 J. Med. Chem. 1999, 42, 1515-1524 (Pubitemid 29226723)
-
(1999)
Journal of Medicinal Chemistry
, vol.42
, Issue.9
, pp. 1515-1524
-
-
De Groot, M.J.1
Ackland, M.J.2
Horne, V.A.3
Alex, A.A.4
Jones, B.C.5
-
9
-
-
0033533750
-
A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6
-
DOI 10.1021/jm991058v
-
de Groot, M. J.; Ackland, M. J.; Horne, V. A.; Alex, A. A.; Jones, B. C. A Novel Approach to Predicting P450 Mediated Drug Metabolism. CYP2D6 Catalyzed N-Dealkylation Reactions and Qualitative Metabolite Predictions Using a Combined Protein and Pharmacophore Model for CYP2D6 J. Med. Chem. 1999, 42, 4062-4070 (Pubitemid 29483023)
-
(1999)
Journal of Medicinal Chemistry
, vol.42
, Issue.20
, pp. 4062-4070
-
-
De Groot, M.J.1
Ackland, M.J.2
Horne, V.A.3
Alex, A.A.4
Jones, B.C.5
-
10
-
-
33646107162
-
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking
-
de Graaf, C.; Oostenbrink, C.; Keizers, P. H. J.; van der Wijst, T.; Jongejan, A.; Vermeulen, N. P. E. Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking J. Med. Chem. 2006, 49, 2417-2430
-
(2006)
J. Med. Chem.
, vol.49
, pp. 2417-2430
-
-
De Graaf, C.1
Oostenbrink, C.2
Keizers, P.H.J.3
Van Der Wijst, T.4
Jongejan, A.5
Vermeulen, N.P.E.6
-
11
-
-
24944529052
-
Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: In silico predictions and experimental validation
-
DOI 10.1021/jm050338+
-
Keizers, P. H. J.; de Graaf, C.; de Kanter, F. J. J.; Oostenbrink, C.; Feenstra, K. A.; Commandeur, J. N. M.; Vermeulen, N. P. E. Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N- alkylamphetamines: in silico predictions and experimental validation J. Med. Chem. 2005, 48, 6117-6127 (Pubitemid 41324619)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.19
, pp. 6117-6127
-
-
Keizers, P.H.J.1
De Graaf, C.2
De Kanter, F.J.J.3
Oostenbrink, C.4
Feenstra, K.A.5
Commandeur, J.N.M.6
Vermeulen, N.P.E.7
-
12
-
-
80052380142
-
Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6
-
Moors, S. L. C.; Vos, A. M.; Cummings, M. D.; Van Vlijmen, H.; Ceulemans, A. Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6 J. Med. Chem. 2011, 54, 6098-6105
-
(2011)
J. Med. Chem.
, vol.54
, pp. 6098-6105
-
-
Moors, S.L.C.1
Vos, A.M.2
Cummings, M.D.3
Van Vlijmen, H.4
Ceulemans, A.5
-
13
-
-
82355163781
-
-
version 5.0; Optibrium Ltd.
-
StarDrop, version 5.0; Optibrium Ltd.: 2011.
-
(2011)
StarDrop
-
-
-
14
-
-
0037423276
-
Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6
-
DOI 10.1074/jbc.M209519200
-
Paine, M. J. I.; McLaughlin, L. A.; Flanagan, J. U.; Kemp, C. A.; Sutcliffe, M. J.; Roberts, G. C. K.; Wolf, C. R. Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome p450 2D6 J. Biol. Chem. 2003, 278, 4021-4027 (Pubitemid 36801135)
-
(2003)
Journal of Biological Chemistry
, vol.278
, Issue.6
, pp. 4021-4027
-
-
Paine, M.J.I.1
McLaughlin, L.A.2
Flanagan, J.U.3
Kemp, C.A.4
Sutcliffe, M.J.5
Roberts, G.C.K.6
Wolf, C.R.7
-
15
-
-
33745135773
-
Recent developments of the Chemistry Development Kit (CDK) - An open-source Java library for chemo- and bioinformatics
-
DOI 10.2174/138161206777585274
-
Steinbeck, C.; Hoppe, C.; Kuhn, S.; Floris, M.; Guha, R.; Willighagen, E. L. Recent developments of the Chemistry Development Kit (CDK)-An open-source Java library for chemo- and bioinformatics Curr. Pharm. Des. 2006, 12, 2111-2120 (Pubitemid 43891407)
-
(2006)
Current Pharmaceutical Design
, vol.12
, Issue.17
, pp. 2111-2120
-
-
Steinbeck, C.1
Hoppe, C.2
Kuhn, S.3
Floris, M.4
Guha, R.5
Willighagen, E.L.6
-
16
-
-
0037361967
-
The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics
-
Steinbeck, C.; Han, Y. Q.; Kuhn, S.; Horlacher, O.; Luttmann, E.; Willighagen, E. The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics J. Chem. Inf. Comput. Sci. 2003, 43, 493-500
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 493-500
-
-
Steinbeck, C.1
Han, Y.Q.2
Kuhn, S.3
Horlacher, O.4
Luttmann, E.5
Willighagen, E.6
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