-
1
-
-
78149391187
-
Chemistry. Glimpsing the critical intermediate in cytochrome P450 oxidations
-
S.G. Sligar Chemistry. Glimpsing the critical intermediate in cytochrome P450 oxidations Science 330 2010 924 925
-
(2010)
Science
, vol.330
, pp. 924-925
-
-
Sligar, S.G.1
-
2
-
-
77349115125
-
P450 enzymes: Their structure, reactivity, and selectivity modeled by QM/MM calculations
-
S. Shaik, and S. Cohen W. Thiel P450 enzymes: their structure, reactivity, and selectivity modeled by QM/MM calculations Chem. Rev. 110 2010 949 1017
-
(2010)
Chem. Rev.
, vol.110
, pp. 949-1017
-
-
Shaik, S.1
Cohen, S.2
Thiel, W.3
-
3
-
-
0034088779
-
The catalytic pathway of cytochrome p450cam at atomic resolution
-
I. Schlichting, and J. Berendzen S.G. Sligar The catalytic pathway of cytochrome p450cam at atomic resolution Science 287 2000 1615 1622
-
(2000)
Science
, vol.287
, pp. 1615-1622
-
-
Schlichting, I.1
Berendzen, J.2
Sligar, S.G.3
-
4
-
-
0022919721
-
Crystal structure of substrate-free Pseudomonas putida cytochrome P-450
-
T.L. Poulos, B.C. Finzel, and A.J. Howard Crystal structure of substrate-free Pseudomonas putida cytochrome P-450 Biochemistry 25 1986 5314 5322
-
(1986)
Biochemistry
, vol.25
, pp. 5314-5322
-
-
Poulos, T.L.1
Finzel, B.C.2
Howard, A.J.3
-
5
-
-
0023645035
-
High-resolution crystal structure of cytochrome P450cam
-
T.L. Poulos, B.C. Finzel, and A.J. Howard High-resolution crystal structure of cytochrome P450cam J. Mol. Biol. 195 1987 687 700
-
(1987)
J. Mol. Biol.
, vol.195
, pp. 687-700
-
-
Poulos, T.L.1
Finzel, B.C.2
Howard, A.J.3
-
7
-
-
7444264562
-
Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires
-
A.M.A. Hays, and A.R. Dunn D.B. Goodin Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires J. Mol. Biol. 344 2004 455 469
-
(2004)
J. Mol. Biol.
, vol.344
, pp. 455-469
-
-
Hays, A.M.A.1
Dunn, A.R.2
Goodin, D.B.3
-
8
-
-
0035940433
-
Probing the open state of cytochrome P450cam with ruthenium-linker substrates
-
A.R. Dunn, and I.J. Dmochowski B.R. Crane Probing the open state of cytochrome P450cam with ruthenium-linker substrates Proc. Natl. Acad. Sci. USA 98 2001 12420 12425
-
(2001)
Proc. Natl. Acad. Sci. USA
, vol.98
, pp. 12420-12425
-
-
Dunn, A.R.1
Dmochowski, I.J.2
Crane, B.R.3
-
9
-
-
79952092257
-
Three clusters of conformational states in p450cam reveal a multistep pathway for closing of the substrate access channel
-
Y.-T. Lee, and E.C. Glazer D.B. Goodin Three clusters of conformational states in p450cam reveal a multistep pathway for closing of the substrate access channel Biochemistry 50 2011 693 703
-
(2011)
Biochemistry
, vol.50
, pp. 693-703
-
-
Lee, Y.-T.1
Glazer, E.C.2
Goodin, D.B.3
-
10
-
-
77951247090
-
P450cam visits an open conformation in the absence of substrate
-
Y.T. Lee, and R.F. Wilson D.B. Goodin P450cam visits an open conformation in the absence of substrate Biochemistry 49 2010 3412 3419
-
(2010)
Biochemistry
, vol.49
, pp. 3412-3419
-
-
Lee, Y.T.1
Wilson, R.F.2
Goodin, D.B.3
-
11
-
-
0034634393
-
How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms
-
S.K. Lüdemann, V. Lounnas, and R.C. Wade How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms J. Mol. Biol. 303 2000 797 811
-
(2000)
J. Mol. Biol.
, vol.303
, pp. 797-811
-
-
Lüdemann, S.K.1
Lounnas, V.2
Wade, R.C.3
-
12
-
-
0034634391
-
How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways
-
S.K. Lüdemann, V. Lounnas, and R.C. Wade How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways J. Mol. Biol. 303 2000 813 830
-
(2000)
J. Mol. Biol.
, vol.303
, pp. 813-830
-
-
Lüdemann, S.K.1
Lounnas, V.2
Wade, R.C.3
-
13
-
-
0007299919
-
Substrate access to Cytochrome P450cam: A comparison of a thermal motion pathway analysis with molecular dynamics simulation data
-
Darmstadt, Germany
-
Ludemann, S. K., O. Carugo, and R. C. Wade. 1997. Substrate access to Cytochrome P450cam: a comparison of a thermal motion pathway analysis with molecular dynamics simulation data. 11th Molecular Modeling Workshop, Darmstadt, Germany. 369-374.
-
(1997)
11th Molecular Modeling Workshop
, pp. 369-369
-
-
Ludemann, K.S.1
Carugo, O.2
Wade, R.C.3
-
14
-
-
79952936165
-
Adaptive accelerated molecular dynamics (Ad-AMD) revealing the molecular plasticity of P450cam
-
P.R.L. Markwick, and L.C.T. Pierce J.A. McCammon Adaptive accelerated molecular dynamics (Ad-AMD) revealing the molecular plasticity of P450cam J. Phys. Chem. Lett 2 2011 158 164
-
(2011)
J. Phys. Chem. Lett
, vol.2
, pp. 158-164
-
-
Markwick, P.R.L.1
Pierce, L.C.T.2
McCammon, J.A.3
-
15
-
-
80053107447
-
Active-site hydration and water diffusion in cytochrome P450cam: A highly dynamic process
-
Y. Miao, and J. Baudry Active-site hydration and water diffusion in cytochrome P450cam: a highly dynamic process Biophys. J. 101 2011 1493 1503
-
(2011)
Biophys. J.
, vol.101
, pp. 1493-1503
-
-
Miao, Y.1
Baudry, J.2
-
16
-
-
0024976853
-
Dynamical transition of myoglobin revealed by inelastic neutron scattering
-
W. Doster, S. Cusack, and W. Petry Dynamical transition of myoglobin revealed by inelastic neutron scattering Nature 337 1989 754 756
-
(1989)
Nature
, vol.337
, pp. 754-756
-
-
Doster, W.1
Cusack, S.2
Petry, W.3
-
17
-
-
33645834303
-
New tools provide new insights in NMR studies of protein dynamics
-
A. Mittermaier, and L.E. Kay New tools provide new insights in NMR studies of protein dynamics Science 312 2006 224 228
-
(2006)
Science
, vol.312
, pp. 224-228
-
-
Mittermaier, A.1
Kay, L.E.2
-
18
-
-
37249032102
-
Dynamic personalities of proteins
-
K. Henzler-Wildman, and D. Kern Dynamic personalities of proteins Nature 450 2007 964 972
-
(2007)
Nature
, vol.450
, pp. 964-972
-
-
Henzler-Wildman, K.1
Kern, D.2
-
19
-
-
33749487679
-
Influence of hydration on the dynamics of lysozyme
-
J.H. Roh, and J.E. Curtis A.P. Sokolov Influence of hydration on the dynamics of lysozyme Biophys. J. 91 2006 2573 2588
-
(2006)
Biophys. J.
, vol.91
, pp. 2573-2588
-
-
Roh, J.H.1
Curtis, J.E.2
Sokolov, A.P.3
-
20
-
-
41849097415
-
Coincidence of dynamical transitions in a soluble protein and its hydration water: Direct measurements by neutron scattering and MD simulations
-
K. Wood, and A. Frölich M. Weik Coincidence of dynamical transitions in a soluble protein and its hydration water: direct measurements by neutron scattering and MD simulations J. Am. Chem. Soc. 130 2008 4586 4587
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 4586-4587
-
-
Wood, K.1
Frölich, A.2
Weik, M.3
-
21
-
-
77953732984
-
Dynamics of a globular protein and its hydration water studied by neutron scattering and MD simulations
-
S.H. Chen, and M. Lagi P. Baglioni Dynamics of a globular protein and its hydration water studied by neutron scattering and MD simulations Spectrosc. Int. J 24 2010 1 24
-
(2010)
Spectrosc. Int. J
, vol.24
, pp. 1-24
-
-
Chen, S.H.1
Lagi, M.2
Baglioni, P.3
-
22
-
-
47749148081
-
In vivo measurement of internal and global macromolecular motions in Escherichia coli
-
M. Jasnin, and M. Moulin M. Tehei In vivo measurement of internal and global macromolecular motions in Escherichia coli Biophys. J. 95 2008 857 864
-
(2008)
Biophys. J.
, vol.95
, pp. 857-864
-
-
Jasnin, M.1
Moulin, M.2
Tehei, M.3
-
23
-
-
0025938315
-
Protein dynamics: Comparison of simulations with inelastic neutron scattering experiments
-
J.C. Smith Protein dynamics: comparison of simulations with inelastic neutron scattering experiments Q. Rev. Biophys. 24 1991 227 291
-
(1991)
Q. Rev. Biophys.
, vol.24
, pp. 227-291
-
-
Smith, J.C.1
-
24
-
-
33646719091
-
Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity
-
G. Lipari, and A. Szabo Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity J. Am. Chem. Soc. 104 1982 4546 4559
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 4546-4559
-
-
Lipari, G.1
Szabo, A.2
-
25
-
-
0033028550
-
Hydration-coupled dynamics in proteins studied by neutron scattering and NMR: The case of the typical EF-hand calcium-binding parvalbumin
-
J.M. Zanotti, M.C. Bellissent-Funel, and J. Parello Hydration-coupled dynamics in proteins studied by neutron scattering and NMR: the case of the typical EF-hand calcium-binding parvalbumin Biophys. J. 76 1999 2390 2411
-
(1999)
Biophys. J.
, vol.76
, pp. 2390-2411
-
-
Zanotti, J.M.1
Bellissent-Funel, M.C.2
Parello, J.3
-
26
-
-
34247500337
-
Exploring multiple timescale motions in protein GB3 using accelerated molecular dynamics and NMR spectroscopy
-
P.R. Markwick, G. Bouvignies, and M. Blackledge Exploring multiple timescale motions in protein GB3 using accelerated molecular dynamics and NMR spectroscopy J. Am. Chem. Soc. 129 2007 4724 4730
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 4724-4730
-
-
Markwick, P.R.1
Bouvignies, G.2
Blackledge, M.3
-
28
-
-
80052409309
-
A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS
-
E. Mamontov, and K.W. Herwig A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS Rev. Sci. Instrum. 82 2011 085109
-
(2011)
Rev. Sci. Instrum.
, vol.82
, pp. 085109
-
-
Mamontov, E.1
Herwig, K.W.2
-
29
-
-
80052393167
-
The new cold neutron chopper spectrometer at the Spallation Neutron Source: Design and performance
-
G. Ehlers, and A.A. Podlesnyak P.E. Sokol The new cold neutron chopper spectrometer at the Spallation Neutron Source: design and performance Rev. Sci. Instrum. 82 2011 085108
-
(2011)
Rev. Sci. Instrum.
, vol.82
, pp. 085108
-
-
Ehlers, G.1
Podlesnyak, A.A.2
Sokol, P.E.3
-
31
-
-
84860267725
-
Derivation of mean-square displacements for protein dynamics from elastic incoherent neutron scattering
-
10.1021/jp2102868
-
Z. Yi, and Y. Miao J.C. Smith Derivation of mean-square displacements for protein dynamics from elastic incoherent neutron scattering J. Phys. Chem. B 2012 10.1021/jp2102868
-
(2012)
J. Phys. Chem. B
-
-
Yi, Z.1
Miao, Y.2
Smith, J.C.3
-
32
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
A.D. MacKerell, and D. Bashford M. Karplus All-atom empirical potential for molecular modeling and dynamics studies of proteins J. Phys. Chem. B 102 1998 3586 3616
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Karplus, M.3
-
33
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
W.L. Jorgensen, and J. Chandrasekhar M.L. Klein Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 79 1983 926 935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Klein, M.L.3
-
34
-
-
34547931817
-
Common system setup for the entire catalytic cycle of cytochrome P450(cam) in quantum mechanical/molecular mechanical studies
-
J.J. Zheng, A. Altun, and W. Thiel Common system setup for the entire catalytic cycle of cytochrome P450(cam) in quantum mechanical/molecular mechanical studies J. Comput. Chem. 28 2007 2147 2158
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 2147-2158
-
-
Zheng, J.J.1
Altun, A.2
Thiel, W.3
-
35
-
-
0037055032
-
The elusive oxidant species of cytochrome P450 enzymes: Characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations
-
J.C. Schöneboom, and H. Lin S. Shaik The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations J. Am. Chem. Soc. 124 2002 8142 8151
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 8142-8151
-
-
Schöneboom, J.C.1
Lin, H.2
Shaik, S.3
-
36
-
-
84862822294
-
SASSENA - X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
-
B. Lindner, and J.C. Smith SASSENA - x-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers Comput. Phys. Commun. 183 2012 1491 1501
-
(2012)
Comput. Phys. Commun.
, vol.183
, pp. 1491-1501
-
-
Lindner, B.1
Smith, J.C.2
-
37
-
-
33845553743
-
Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 2. Analysis of experimental results
-
G. Lipari, and A. Szabo Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 2. Analysis of experimental results J. Am. Chem. Soc. 104 1982 4559 4570
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 4559-4570
-
-
Lipari, G.1
Szabo, A.2
-
38
-
-
0014699523
-
Non-symmetrical dielectric relaxation behavior arising from a simple empirical decay function
-
G. Williams, and D.C. Watts Non-symmetrical dielectric relaxation behavior arising from a simple empirical decay function Trans. Faraday Soc. 66 1970 80 85
-
(1970)
Trans. Faraday Soc.
, vol.66
, pp. 80-85
-
-
Williams, G.1
Watts, D.C.2
-
39
-
-
0037614992
-
A model for effector activity in a highly specific biological electron transfer complex: The cytochrome P450(cam)-putidaredoxin couple
-
S.S. Pochapsky, T.C. Pochapsky, and J.W. Wei A model for effector activity in a highly specific biological electron transfer complex: the cytochrome P450(cam)-putidaredoxin couple Biochemistry 42 2003 5649 5656
-
(2003)
Biochemistry
, vol.42
, pp. 5649-5656
-
-
Pochapsky, S.S.1
Pochapsky, T.C.2
Wei, J.W.3
-
40
-
-
80053539337
-
Three classes of motion in the dynamic neutron-scattering susceptibility of a globular protein
-
L. Hong, and N. Smolin J.C. Smith Three classes of motion in the dynamic neutron-scattering susceptibility of a globular protein Phys. Rev. Lett. 107 2011 148102
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 148102
-
-
Hong, L.1
Smolin, N.2
Smith, J.C.3
-
42
-
-
33748061683
-
Van der Waals interactions and decrease of the rotational barrier of methyl-sized rotators: A theoretical study
-
J. Baudry Van der Waals interactions and decrease of the rotational barrier of methyl-sized rotators: a theoretical study J. Am. Chem. Soc. 128 2006 11088 11093
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 11088-11093
-
-
Baudry, J.1
-
43
-
-
0030917740
-
Exceptionally stable salt bridges in cytochrome P450cam have functional roles
-
V. Lounnas, and R.C. Wade Exceptionally stable salt bridges in cytochrome P450cam have functional roles Biochemistry 36 1997 5402 5417
-
(1997)
Biochemistry
, vol.36
, pp. 5402-5417
-
-
Lounnas, V.1
Wade, R.C.2
-
44
-
-
0032568645
-
Electrostatic steering and ionic tethering in enzyme-ligand binding: Insights from simulations
-
R.C. Wade, and R.R. Gabdoulline V. Lounnas Electrostatic steering and ionic tethering in enzyme-ligand binding: insights from simulations Proc. Natl. Acad. Sci. USA 95 1998 5942 5949
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 5942-5949
-
-
Wade, R.C.1
Gabdoulline, R.R.2
Lounnas, V.3
-
45
-
-
0344824425
-
Cytochrome P450 flexibility
-
T.L. Poulos Cytochrome P450 flexibility Proc. Natl. Acad. Sci. USA 100 2003 13121 13122
-
(2003)
Proc. Natl. Acad. Sci. USA
, vol.100
, pp. 13121-13122
-
-
Poulos, T.L.1
-
46
-
-
0034698277
-
Binding of camphor to Pseudomonas putida cytochrome p450(cam): Steady-state and picosecond time-resolved fluorescence studies
-
S. Prasad, S. Mazumdar, and S. Mitra Binding of camphor to Pseudomonas putida cytochrome p450(cam): steady-state and picosecond time-resolved fluorescence studies FEBS Lett. 477 2000 157 160
-
(2000)
FEBS Lett.
, vol.477
, pp. 157-160
-
-
Prasad, S.1
Mazumdar, S.2
Mitra, S.3
-
47
-
-
0033667559
-
Insight into protein structure and protein-ligand recognition by Fourier transform infrared spectroscopy
-
C. Jung Insight into protein structure and protein-ligand recognition by Fourier transform infrared spectroscopy J. Mol. Recognit. 13 2000 325 351
-
(2000)
J. Mol. Recognit.
, vol.13
, pp. 325-351
-
-
Jung, C.1
-
48
-
-
79952394491
-
Experimentally restrained molecular dynamics simulations for characterizing the open states of cytochrome P450cam
-
E.K. Asciutto, and M. Dang T.C. Pochapsky Experimentally restrained molecular dynamics simulations for characterizing the open states of cytochrome P450cam Biochemistry 50 2011 1664 1671
-
(2011)
Biochemistry
, vol.50
, pp. 1664-1671
-
-
Asciutto, E.K.1
Dang, M.2
Pochapsky, T.C.3
-
49
-
-
1542267812
-
Structural and functional divergence of insect CYP6B proteins: From specialist to generalist cytochrome P450
-
X.C. Li, and J. Baudry M.A. Schuler Structural and functional divergence of insect CYP6B proteins: from specialist to generalist cytochrome P450 Proc. Natl. Acad. Sci. USA 101 2004 2939 2944
-
(2004)
Proc. Natl. Acad. Sci. USA
, vol.101
, pp. 2939-2944
-
-
Li, X.C.1
Baudry, J.2
Schuler, M.A.3
-
50
-
-
0042265520
-
Crystal structure of human cytochrome P450 2C9 with bound warfarin
-
P.A. Williams, and J. Cosme H. Jhoti Crystal structure of human cytochrome P450 2C9 with bound warfarin Nature 424 2003 464 468
-
(2003)
Nature
, vol.424
, pp. 464-468
-
-
Williams, P.A.1
Cosme, J.2
Jhoti, H.3
-
51
-
-
41149151753
-
Crystal structure of inhibitor-bound P450BM-3 reveals open conformation of substrate access channel
-
D.C. Haines, and B. Chen J.A. Peterson Crystal structure of inhibitor-bound P450BM-3 reveals open conformation of substrate access channel Biochemistry 47 2008 3662 3670
-
(2008)
Biochemistry
, vol.47
, pp. 3662-3670
-
-
Haines, D.C.1
Chen, B.2
Peterson, J.A.3
-
52
-
-
3442896773
-
Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone
-
P.A. Williams, and J. Cosme H. Jhoti Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone Science 305 2004 683 686
-
(2004)
Science
, vol.305
, pp. 683-686
-
-
Williams, P.A.1
Cosme, J.2
Jhoti, H.3
|