-
1
-
-
0002751786
-
-
Ortiz de Montellano, P. R., Ed. Plenum Press: New York; Chapter 8
-
Ortiz de Montellano, P. R. In Cytochrome P450: Structure, Mechanism and Biochemistry, 2nd ed.; Ortiz de Montellano, P. R., Ed. Plenum Press: New York, 1995; Chapter 8, pp 245-303.
-
(1995)
Cytochrome P450: Structure, Mechanism and Biochemistry, 2nd Ed.
, pp. 245-303
-
-
Ortiz de Montellano, P.R.1
-
2
-
-
0039812510
-
-
Sono, M.; Roach, M. P.; Coulter, E. D.; Dawson, J. H. Chem. Rev. 1996, 96, 2841-2887.
-
(1996)
Chem. Rev.
, vol.96
, pp. 2841-2887
-
-
Sono, M.1
Roach, M.P.2
Coulter, E.D.3
Dawson, J.H.4
-
6
-
-
0000772808
-
-
(b) Jerina, D. M.; Daly, J. W.; Witkop, B.; Zaltzman-Nirenberg, P.; Udenfriend, S. Arch. Biochem. Biophys. 1968, 128, 176-183.
-
(1968)
Arch. Biochem. Biophys.
, vol.128
, pp. 176-183
-
-
Jerina, D.M.1
Daly, J.W.2
Witkop, B.3
Zaltzman-Nirenberg, P.4
Udenfriend, S.5
-
7
-
-
0014405152
-
-
(a) Jerina, D. M.; Daly, J. W.; Witkop, B.; Zaltzman-Nirenberg, P.; Udenfriend, S. J. Am. Chem. Soc. 1968, 90, 6525-6527.
-
(1968)
J. Am. Chem. Soc.
, vol.90
, pp. 6525-6527
-
-
Jerina, D.M.1
Daly, J.W.2
Witkop, B.3
Zaltzman-Nirenberg, P.4
Udenfriend, S.5
-
8
-
-
0014934298
-
-
(b) Jerina, D. M.; Daly, J. W.; Witkop, B.; Zaltzman-Nirenberg, P.; Udenfriend, S. Biochemistry 1970, 9, 147-156.
-
(1970)
Biochemistry
, vol.9
, pp. 147-156
-
-
Jerina, D.M.1
Daly, J.W.2
Witkop, B.3
Zaltzman-Nirenberg, P.4
Udenfriend, S.5
-
9
-
-
0024465250
-
-
Korzekwa, K. R.; Swinney, D. C.; Trager, W. T. Biochemistry 1989, 28, 9019-9027.
-
(1989)
Biochemistry
, vol.28
, pp. 9019-9027
-
-
Korzekwa, K.R.1
Swinney, D.C.2
Trager, W.T.3
-
10
-
-
0027216023
-
-
Rietjens, I. M. C. M.; Soffers, A. E. M. F.; Veeger, C.; Vervoort, J. Biochemistry 1993, 32, 4801-4812.
-
(1993)
Biochemistry
, vol.32
, pp. 4801-4812
-
-
Rietjens, I.M.C.M.1
Soffers, A.E.M.F.2
Veeger, C.3
Vervoort, J.4
-
12
-
-
0021766923
-
-
Hanzlik, R. P.; Hogberg, K.; Judson, C. M. Biochemistry 1984, 23, 3048-3055.
-
(1984)
Biochemistry
, vol.23
, pp. 3048-3055
-
-
Hanzlik, R.P.1
Hogberg, K.2
Judson, C.M.3
-
13
-
-
0001501932
-
-
(a) Zakharieva, O.; Grodzicki, M.; Trautwein, A. X.; Veeger, C.; Rietjens, I. M. C. M. J. Biol. Inorg. Chem. 1996, 1, 192-204.
-
(1996)
J. Biol. Inorg. Chem.
, vol.1
, pp. 192-204
-
-
Zakharieva, O.1
Grodzicki, M.2
Trautwein, A.X.3
Veeger, C.4
Rietjens, I.M.C.M.5
-
14
-
-
0032572570
-
-
(b) Zakharieva, O.; Grodzicki, M.; Trautwein, A. X.; Veeger, C.; Rietjens, I. M. C. M. Biophys. Chem. 1998, 73, 189-203.
-
(1998)
Biophys. Chem.
, vol.73
, pp. 189-203
-
-
Zakharieva, O.1
Grodzicki, M.2
Trautwein, A.X.3
Veeger, C.4
Rietjens, I.M.C.M.5
-
17
-
-
0021058845
-
-
Burka, L. T.; Plucinski, T. M.; MacDonald, T. L. Proc. Natl. Acad. Sci. U.S.A. 1983, 80, 6680-6684.
-
(1983)
Proc. Natl. Acad. Sci. U.S.A.
, vol.80
, pp. 6680-6684
-
-
Burka, L.T.1
Plucinski, T.M.2
MacDonald, T.L.3
-
20
-
-
0016687888
-
-
(a) Tomaszewski, J. E.; Jerina, D. M.; Daly, J. W. Biochemistry 1975, 14, 2024-2031.
-
(1975)
Biochemistry
, vol.14
, pp. 2024-2031
-
-
Tomaszewski, J.E.1
Jerina, D.M.2
Daly, J.W.3
-
21
-
-
0020534622
-
-
(b) Preston, B. D.; Miller, J. A.; Miller, E. C. J. Biol. Chem. 1983, 258, 8304-8311.
-
(1983)
J. Biol. Chem.
, vol.258
, pp. 8304-8311
-
-
Preston, B.D.1
Miller, J.A.2
Miller, E.C.3
-
22
-
-
0017744320
-
-
(a) Hinson, J. A.; Nelson, S. D.; Mitchell, J. R. Mol. Pharmacol. 1977, 13, 625-633.
-
(1977)
Mol. Pharmacol.
, vol.13
, pp. 625-633
-
-
Hinson, J.A.1
Nelson, S.D.2
Mitchell, J.R.3
-
23
-
-
0018657189
-
-
(b) Hinson, J. A.; Nelson, S. D.; Gillette, J. R. Mol. Pharmacol. 1979, 15, 419-427.
-
(1979)
Mol. Pharmacol.
, vol.15
, pp. 419-427
-
-
Hinson, J.A.1
Nelson, S.D.2
Gillette, J.R.3
-
24
-
-
0025216230
-
-
(c) Koymans, L.; van Lenthe, J. H.; Donné-Op den Kelder, G. M.; Vermeulen, N. P. E. Mol. Pharmacol. 1990, 37, 452-460.
-
(1990)
Mol. Pharmacol.
, vol.37
, pp. 452-460
-
-
Koymans, L.1
Van Lenthe, J.H.2
Donné-Op den Kelder, G.M.3
Vermeulen, N.P.E.4
-
25
-
-
0028352457
-
-
Ohe, T.; Mashnoa, T.; Hirobe, M. Arch. Biochem. Biophys. 1994, 310, 402-409.
-
(1994)
Arch. Biochem. Biophys.
, vol.310
, pp. 402-409
-
-
Ohe, T.1
Mashnoa, T.2
Hirobe, M.3
-
26
-
-
0002156744
-
-
Ortiz de Montellano, P. R., Ed. Plenum Press: New York; Chapter 1
-
Groves, J. T.; Hang, Y.-Z. In Cytochrome P450: Structure, Mechanism and Biochemistry, 2nd ed.; Ortiz de Montellano, P. R., Ed. Plenum Press: New York, 1995; Chapter 1, pp 3-48.
-
(1995)
Cytochrome P450: Structure, Mechanism and Biochemistry, 2nd Ed.
, pp. 3-48
-
-
Groves, J.T.1
Hang, Y.-Z.2
-
28
-
-
0030763479
-
-
Gross, Z.; Nimri, S.; Barzilay, C. M.; Simkhovich, L. J. Biol. Inorg. Chem. 1997, 2, 492.
-
(1997)
J. Biol. Inorg. Chem.
, vol.2
, pp. 492
-
-
Gross, Z.1
Nimri, S.2
Barzilay, C.M.3
Simkhovich, L.4
-
29
-
-
0034823190
-
-
(a) de Visser, S. P.; Ogliaro, F.; Harris, N.; Shaik, S. J. Am. Chem. Soc. 2001, 123, 3037-3047.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 3037-3047
-
-
De Visser, S.P.1
Ogliaro, F.2
Harris, N.3
Shaik, S.4
-
31
-
-
0035800399
-
-
(c) de Visser, S. P.; Ogliaro, F.; Shaik, S. Angew. Chem., Int. Ed. 2001, 40, 2871-2874.
-
(2001)
Angew. Chem., Int. Ed.
, vol.40
, pp. 2871-2874
-
-
De Visser, S.P.1
Ogliaro, F.2
Shaik, S.3
-
32
-
-
0037009994
-
-
(a) de Visser, S. P.; Ogliaro, F.; Sharma, P. K.; Shaik, S. J. Am. Chem. Soc. 2002, 124, 11809-11826.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11809-11826
-
-
De Visser, S.P.1
Ogliaro, F.2
Sharma, P.K.3
Shaik, S.4
-
33
-
-
0037014038
-
-
(b) de Visser, S. P.; Ogliaro, F.; Sharma, P. K.; Shaik, S. Angew. Chem., Int. Ed. 2002, 41, 1947-1951.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 1947-1951
-
-
De Visser, S.P.1
Ogliaro, F.2
Sharma, P.K.3
Shaik, S.4
-
34
-
-
0034352128
-
-
(a) Yoshizawa, K.; Kagawa, Y.; Shiota, Y. J. Phys. Chem. B 2000, 104, 12365-12370.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 12365-12370
-
-
Yoshizawa, K.1
Kagawa, Y.2
Shiota, Y.3
-
35
-
-
0035840983
-
-
(b) Yoshizawa, K.; Kamachi, T.; Shiota, Y. J. Am. Chem. Soc. 2001, 123, 9806-9816.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 9806-9816
-
-
Yoshizawa, K.1
Kamachi, T.2
Shiota, Y.3
-
38
-
-
0034692380
-
-
(a) Ogliaro, F.; Harris, N.; Cohen, S.; Filatov, M.; de Visser, S. P.; Shaik, S. J. Am. Chem. Soc. 2000, 122, 8977-8989.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 8977-8989
-
-
Ogliaro, F.1
Harris, N.2
Cohen, S.3
Filatov, M.4
De Visser, S.P.5
Shaik, S.6
-
40
-
-
0019876881
-
-
(a) Ortiz de Montellano, P. R.; Beilan, H. S.; Kunze, K. L.; Mico, B. A. J. Biol. Chem. 1981, 256, 4395-4399.
-
(1981)
J. Biol. Chem.
, vol.256
, pp. 4395-4399
-
-
Ortiz de Montellano, P.R.1
Beilan, H.S.2
Kunze, K.L.3
Mico, B.A.4
-
41
-
-
0021099352
-
-
(b) Kunze, K. L.; Mangold, B. L. K.; Wheeler, C.; Beilan, H. S.; Ortiz de Montellano, P. R. J. Biol. Chem. 1983, 258, 4202-4207.
-
(1983)
J. Biol. Chem.
, vol.258
, pp. 4202-4207
-
-
Kunze, K.L.1
Mangold, B.L.K.2
Wheeler, C.3
Beilan, H.S.4
Ortiz de Montellano, P.R.5
-
42
-
-
0021099402
-
-
(c) Ortiz de Montellano, P. R.; Mangold, B. L. K.; Wheeler, C.; Kunze, K. L.; Reich, N. O. J. Biol. Chem. 1983, 258, 4208-4213.
-
(1983)
J. Biol. Chem.
, vol.258
, pp. 4208-4213
-
-
Ortiz de Montellano, P.R.1
Mangold, B.L.K.2
Wheeler, C.3
Kunze, K.L.4
Reich, N.O.5
-
44
-
-
0001516982
-
-
(e) Mashiko, T.; Dolphin, D.; Nakano, T.; Traylor, T. G. J. Am. Chem. Soc. 1985, 107, 3735-3736.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3735-3736
-
-
Mashiko, T.1
Dolphin, D.2
Nakano, T.3
Traylor, T.G.4
-
46
-
-
0029661748
-
-
(g) Debrunner, P. G.; Dexter, A. F.; Schulz, C. E.; Xia, Y.-M.; Hager, L. P. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 12791-12798.
-
(1996)
Proc. Natl. Acad. Sci. U.S.A.
, vol.93
, pp. 12791-12798
-
-
Debrunner, P.G.1
Dexter, A.F.2
Schulz, C.E.3
Xia, Y.-M.4
Hager, L.P.5
-
47
-
-
0022482038
-
-
Groves, J. T.; Avaria-Neisser, G. E.; Fish, K. M.; Imachi, M.; Kuczkowski, R. L. J. Am. Chem. Soc. 1986, 108, 3837-3838.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 3837-3838
-
-
Groves, J.T.1
Avaria-Neisser, G.E.2
Fish, K.M.3
Imachi, M.4
Kuczkowski, R.L.5
-
48
-
-
77956779984
-
-
Becke, A. D. J. Chem. Phys. 1992, 96, 2155-2160; ibid. 1992, 97, 9173-9177; ibid. 1993, 98, 5648-5652.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155-2160
-
-
Becke, A.D.1
-
49
-
-
77956779984
-
-
Becke, A. D. J. Chem. Phys. 1992, 96, 2155-2160; ibid. 1992, 97, 9173-9177; ibid. 1993, 98, 5648-5652.
-
(1991)
J. Chem. Phys.
, vol.97
, pp. 9173-9177
-
-
-
50
-
-
0000189651
-
-
Becke, A. D. J. Chem. Phys. 1992, 96, 2155-2160; ibid. 1992, 97, 9173-9177; ibid. 1993, 98, 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
-
51
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
53
-
-
0004160492
-
-
Schrödinger, Inc.: Portland, OR
-
Jaguar 4.1; Schrödinger, Inc.: Portland, OR, 1998.
-
(1998)
Jaguar 4.1
-
-
-
54
-
-
0004133516
-
-
Pittsburgh, PA
-
Gaussian-98; Pittsburgh, PA, 1998.
-
(1998)
Gaussian-98
-
-
-
55
-
-
0034723020
-
-
(a) Ogliaro, F.; Cohen, S.; de Visser, S. P.; Shaik, S. J. Am. Chem. Soc. 2000, 122, 12892-12893.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 12892-12893
-
-
Ogliaro, F.1
Cohen, S.2
De Visser, S.P.3
Shaik, S.4
-
56
-
-
0035814131
-
-
(b) Ogliaro, F.; de Visser, S. P.; Cohen, S.; Kaneti, J.; Shaik, S. ChemBioChem. 2001, 2, 848-851.
-
(2001)
ChemBioChem.
, vol.2
, pp. 848-851
-
-
Ogliaro, F.1
De Visser, S.P.2
Cohen, S.3
Kaneti, J.4
Shaik, S.5
-
58
-
-
0037055032
-
-
Schöneboom, J. C.; Reuter, N.; Lin, H.; Thiel, W.; Cohen, S.; Ogliaro, F.; Shaik, S. J. Am. Chem. Soc. 2002, 124, 8142-8151.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8142-8151
-
-
Schöneboom, J.C.1
Reuter, N.2
Lin, H.3
Thiel, W.4
Cohen, S.5
Ogliaro, F.6
Shaik, S.7
-
62
-
-
0028861062
-
-
For sources of protonation and mechanisms thereof inside the protein, see: (a) Yeom, H.; Sligar, S. G.; Li, H.; Poulos, T. L.; Fulco, A. J. Biochemistry 1995, 34, 14733-14740. (b) Vidakovic, M.; Sligar, S. G.; Li, H.; Poulos, T. L. Biochemistry 1998, 37, 9211-9219. (c) Loew, G. H.; Harris, D. L. Chem. Rev. 2000, 20, 407. (d) Gualar, V.; Harris, D. L.; Batista, V. S.; Miller, W. H. J. Am. Chem. Soc. 2002, 124, 1430-1437.
-
(1995)
Biochemistry
, vol.34
, pp. 14733-14740
-
-
Yeom, H.1
Sligar, S.G.2
Li, H.3
Poulos, T.L.4
Fulco, A.J.5
-
63
-
-
0032581042
-
-
For sources of protonation and mechanisms thereof inside the protein, see: (a) Yeom, H.; Sligar, S. G.; Li, H.; Poulos, T. L.; Fulco, A. J. Biochemistry 1995, 34, 14733-14740. (b) Vidakovic, M.; Sligar, S. G.; Li, H.; Poulos, T. L. Biochemistry 1998, 37, 9211-9219. (c) Loew, G. H.; Harris, D. L. Chem. Rev. 2000, 20, 407. (d) Gualar, V.; Harris, D. L.; Batista, V. S.; Miller, W. H. J. Am. Chem. Soc. 2002, 124, 1430-1437.
-
(1998)
Biochemistry
, vol.37
, pp. 9211-9219
-
-
Vidakovic, M.1
Sligar, S.G.2
Li, H.3
Poulos, T.L.4
-
64
-
-
0000767074
-
-
For sources of protonation and mechanisms thereof inside the protein, see: (a) Yeom, H.; Sligar, S. G.; Li, H.; Poulos, T. L.; Fulco, A. J. Biochemistry 1995, 34, 14733-14740. (b) Vidakovic, M.; Sligar, S. G.; Li, H.; Poulos, T. L. Biochemistry 1998, 37, 9211-9219. (c) Loew, G. H.; Harris, D. L. Chem. Rev. 2000, 20, 407. (d) Gualar, V.; Harris, D. L.; Batista, V. S.; Miller, W. H. J. Am. Chem. Soc. 2002, 124, 1430-1437.
-
(2000)
Chem. Rev.
, vol.20
, pp. 407
-
-
Loew, G.H.1
Harris, D.L.2
-
65
-
-
0037138629
-
-
For sources of protonation and mechanisms thereof inside the protein, see: (a) Yeom, H.; Sligar, S. G.; Li, H.; Poulos, T. L.; Fulco, A. J. Biochemistry 1995, 34, 14733-14740. (b) Vidakovic, M.; Sligar, S. G.; Li, H.; Poulos, T. L. Biochemistry 1998, 37, 9211-9219. (c) Loew, G. H.; Harris, D. L. Chem. Rev. 2000, 20, 407. (d) Gualar, V.; Harris, D. L.; Batista, V. S.; Miller, W. H. J. Am. Chem. Soc. 2002, 124, 1430-1437.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 1430-1437
-
-
Gualar, V.1
Harris, D.L.2
Batista, V.S.3
Miller, W.H.4
-
66
-
-
0030908542
-
-
For example, see: Lee, H.-I.; Dexter, A. F.; Fann, Y.-C.; Lakner, F. J.; Hager, L. P.; Hoffman, B. M. J. Am. Chem. Soc. 1997, 119, 4059-4069.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 4059-4069
-
-
Lee, H.-I.1
Dexter, A.F.2
Fann, Y.-C.3
Lakner, F.J.4
Hager, L.P.5
Hoffman, B.M.6
-
67
-
-
0037742151
-
-
Schröder, D.; Shaik, S.; Schwarz, H. Acc. Chem. Res. 2000, 33, 139-145.
-
(2000)
Acc. Chem. Res.
, vol.33
, pp. 139-145
-
-
Schröder, D.1
Shaik, S.2
Schwarz, H.3
-
68
-
-
0036802621
-
-
Shaik, S.; de Visser, S. P.; Ogliaro, F.; Schwarz, H.; Schröder, D. Curr. Opin. Chem. Biol. 2002, 6, 556-567.
-
(2002)
Curr. Opin. Chem. Biol.
, vol.6
, pp. 556-567
-
-
Shaik, S.1
De Visser, S.P.2
Ogliaro, F.3
Schwarz, H.4
Schröder, D.5
-
69
-
-
37049069563
-
-
Ionization potentials were computed with the OVGF method described in: Danovich, D.; Apeloig, Y.; Shaik, S. J. Chem. Soc., Perkin Trans. 2, 1993, 321.
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, pp. 321
-
-
Danovich, D.1
Apeloig, Y.2
Shaik, S.3
-
70
-
-
0001639048
-
-
(a) Inchley, P.; Lindsay-Smith, J. R.; Lower, R. J. New J. Chem. 1989, 13, 669-676.
-
(1989)
New J. Chem.
, vol.13
, pp. 669-676
-
-
Inchley, P.1
Lindsay-Smith, J.R.2
Lower, R.J.3
-
72
-
-
0037745244
-
-
unpublished results for gas-phase hydroxylation of camphor
-
Cohen, S.; Shaik, S., unpublished results for gas-phase hydroxylation of camphor.
-
-
-
Cohen, S.1
Shaik, S.2
-
74
-
-
0034728622
-
-
(b) Newcomb, M.; Shen, R.; Choi, S.-Y.; Toy, P. H.; Hollenberg, P. F.; Vaz, A. D. N.; Coon, M. J. J. Am. Chem. Soc. 2000, 122, 2677-2686.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 2677-2686
-
-
Newcomb, M.1
Shen, R.2
Choi, S.-Y.3
Toy, P.H.4
Hollenberg, P.F.5
Vaz, A.D.N.6
Coon, M.J.7
|