-
1
-
-
84877933286
-
Protein-ligand docking in the new millennium
-
S.F. Sousa, A.J. Ribeiro, J.T. Coimbra, R.P. Neves, S.A. Martins, N.S. Moorthy, P.A. Fernandes, and M.J. Ramos Protein-ligand docking in the new millennium Curr. Med. Chem. 20 2013 2296 22314
-
(2013)
Curr. Med. Chem.
, vol.20
, pp. 2296-22314
-
-
Sousa, S.F.1
Ribeiro, A.J.2
Coimbra, J.T.3
Neves, R.P.4
Martins, S.A.5
Moorthy, N.S.6
Fernandes, P.A.7
Ramos, M.J.8
-
3
-
-
84874310966
-
The application of quantum mechanics in structure-based drug design
-
D. Mucs, and R.A. Bryce The application of quantum mechanics in structure-based drug design Expert Opin. Drug Discov. 8 2013 263 276
-
(2013)
Expert Opin. Drug Discov.
, vol.8
, pp. 263-276
-
-
Mucs, D.1
Bryce, R.A.2
-
4
-
-
79960009157
-
Homology models in docking and high-throughput docking
-
C.N. Cavasotto Homology models in docking and high-throughput docking Curr. Top. Med. Chem. 11 2011 1528 1534
-
(2011)
Curr. Top. Med. Chem.
, vol.11
, pp. 1528-1534
-
-
Cavasotto, C.N.1
-
5
-
-
77953623874
-
Enzyme promiscuity: A mechanistic and evolutionary perspective
-
O. Khersonsky, and D.S. Tawfik Enzyme promiscuity: a mechanistic and evolutionary perspective Annu. Rev. Biochem. 79 2010 471 505
-
(2010)
Annu. Rev. Biochem.
, vol.79
, pp. 471-505
-
-
Khersonsky, O.1
Tawfik, D.S.2
-
6
-
-
84860741240
-
Engineering the third wave of biocatalysts
-
U.T. Bornschauer, G.W. Huisman, R.J. Kazlauskas, S. Lutz, J.C. Moore, and K. Robins Engineering the third wave of biocatalysts Nature 485 2012 185 194
-
(2012)
Nature
, vol.485
, pp. 185-194
-
-
Bornschauer, U.T.1
Huisman, G.W.2
Kazlauskas, R.J.3
Lutz, S.4
Moore, J.C.5
Robins, K.6
-
7
-
-
84880787307
-
Mechanisms of protein sequence divergence and incompatibility
-
A. Wellner, M.R. Gurevich, and D.S. Tawfik Mechanisms of protein sequence divergence and incompatibility PLoS Genet. 9 2013 e1003665
-
(2013)
PLoS Genet.
, vol.9
, pp. e1003665
-
-
Wellner, A.1
Gurevich, M.R.2
Tawfik, D.S.3
-
9
-
-
13844322067
-
Cytochrome P450: Nature's most versatile biological catalyst
-
M.J. Coon Cytochrome P450: nature's most versatile biological catalyst Annu. Rev. Pharmacol. Toxicol. 45 2005 1 25
-
(2005)
Annu. Rev. Pharmacol. Toxicol.
, vol.45
, pp. 1-25
-
-
Coon, M.J.1
-
10
-
-
84874252277
-
What makes a P450 tick?
-
A.W. Munro, H.M. Girvan, A.E. Mason, A.J. Dunford, and K.J. McLean What makes a P450 tick? Trends Biochem. Sci. 38 2013 140 150
-
(2013)
Trends Biochem. Sci.
, vol.38
, pp. 140-150
-
-
Munro, A.W.1
Girvan, H.M.2
Mason, A.E.3
Dunford, A.J.4
McLean, K.J.5
-
11
-
-
84863920443
-
Contributions of human enzymes in carcinogen metabolism
-
S. Rendic, and F.P. Guengerich Contributions of human enzymes in carcinogen metabolism Chem. Res. Toxicol. 25 2012 1316 1383
-
(2012)
Chem. Res. Toxicol.
, vol.25
, pp. 1316-1383
-
-
Rendic, S.1
Guengerich, F.P.2
-
13
-
-
0024445437
-
Human CYP1A2: Sequence, gene structure, comparison with the mouse and rat orthologous genes and differences in liver 1A2 mRNA expression
-
K. Ikeya, A.K. Jaiswal, R.A. Owens, J.E. Jones, D.W. Nebert, and S. Kimura Human CYP1A2: sequence, gene structure, comparison with the mouse and rat orthologous genes and differences in liver 1A2 mRNA expression Mol. Endocrinol. 3 1989 1399 1408
-
(1989)
Mol. Endocrinol.
, vol.3
, pp. 1399-1408
-
-
Ikeya, K.1
Jaiswal, A.K.2
Owens, R.A.3
Jones, J.E.4
Nebert, D.W.5
Kimura, S.6
-
14
-
-
0021991405
-
Human dioxin-inducible cytochrome P1-450: Complementary DNA and amino acid sequence
-
A.K. Jaiswal, F.J. Gonzalez, and D.W. Nebert Human dioxin-inducible cytochrome P1-450: complementary DNA and amino acid sequence Science 228 1985 80 83
-
(1985)
Science
, vol.228
, pp. 80-83
-
-
Jaiswal, A.K.1
Gonzalez, F.J.2
Nebert, D.W.3
-
15
-
-
13844316753
-
Cytochrome P450 activation of arylamines and heterocyclic amines
-
D. Kim, and F.P. Guengerich Cytochrome P450 activation of arylamines and heterocyclic amines Annu. Rev. Pharmacol. Toxicol. 45 2005 27 49
-
(2005)
Annu. Rev. Pharmacol. Toxicol.
, vol.45
, pp. 27-49
-
-
Kim, D.1
Guengerich, F.P.2
-
16
-
-
79958803387
-
Protein dynamics and ligand migration interplay as studied by computer simulation
-
P. Arroyo-Manez, D.E. Bikiel, L. Boechi, L. Capece, S. Di Lella, D.A. Estrin, M.A. Marti, D.M. Moreno, A.D. Nadra, and A.A. Petruk Protein dynamics and ligand migration interplay as studied by computer simulation Biochim. Biophys. Acta 1814 2011 1054 1064
-
(2011)
Biochim. Biophys. Acta
, vol.1814
, pp. 1054-1064
-
-
Arroyo-Manez, P.1
Bikiel, D.E.2
Boechi, L.3
Capece, L.4
Di Lella, S.5
Estrin, D.A.6
Marti, M.A.7
Moreno, D.M.8
Nadra, A.D.9
Petruk, A.A.10
-
17
-
-
84857569031
-
Is there a relationship between the substrate preferences and structural flexibility of cytochromes P450?
-
M. Otyepka, K. Berka, and P. Anzenbacher Is there a relationship between the substrate preferences and structural flexibility of cytochromes P450? Curr. Drug Metab. 13 2012 130 142
-
(2012)
Curr. Drug Metab.
, vol.13
, pp. 130-142
-
-
Otyepka, M.1
Berka, K.2
Anzenbacher, P.3
-
18
-
-
84874043883
-
Conformational diversity and ligand tunnels of mammalian cytochrome P450s
-
X. Yu, V. Cojocaru, and R.C. Wade Conformational diversity and ligand tunnels of mammalian cytochrome P450s Biotechnol. Appl. Biochem. 60 2013 134 145
-
(2013)
Biotechnol. Appl. Biochem.
, vol.60
, pp. 134-145
-
-
Yu, X.1
Cojocaru, V.2
Wade, R.C.3
-
19
-
-
33847142225
-
CAVER: A new tool to explore routes from protein clefts, pockets and cavities
-
M. Petrek, M. Otyepka, P. Banas, P. Kosinova, J. Koca, and J. Damborsky CAVER: a new tool to explore routes from protein clefts, pockets and cavities BMC Bioinform. 7 2006 316
-
(2006)
BMC Bioinform.
, vol.7
, pp. 316
-
-
Petrek, M.1
Otyepka, M.2
Banas, P.3
Kosinova, P.4
Koca, J.5
Damborsky, J.6
-
20
-
-
84871936785
-
-
J. Brezovsky, E. Chovancova, A. Gora, A. Pavelka, L. Biedermannova, and J. Damborsky Biotechnol. Adv. 31 2013 38 49
-
(2013)
Biotechnol. Adv.
, vol.31
, pp. 38-49
-
-
Brezovsky, J.1
Chovancova, E.2
Gora, A.3
Pavelka, A.4
Biedermannova, L.5
Damborsky, J.6
-
21
-
-
0030473382
-
Contribution of human cytochrome P450 to benzo[a]pyrene and benzo[a]pyrene-7,8-dihydrodiol metabolism as predicted from heterologous expression in yeast
-
J.C. Gautier, S. Lecoeur, J. Cosme, A. Perret, P. Urban, P. Beaune, and D. Pompon Contribution of human cytochrome P450 to benzo[a]pyrene and benzo[a]pyrene-7,8-dihydrodiol metabolism as predicted from heterologous expression in yeast Pharmacogenetics 6 1996 489 499
-
(1996)
Pharmacogenetics
, vol.6
, pp. 489-499
-
-
Gautier, J.C.1
Lecoeur, S.2
Cosme, J.3
Perret, A.4
Urban, P.5
Beaune, P.6
Pompon, D.7
-
22
-
-
85047694578
-
CDNA cloning and functional expression in yeast Saccharomyces cerevisiae of beta-naphthoflavone-induced rabbit liver P450 LM4 and LM6
-
D. Pompon cDNA cloning and functional expression in yeast Saccharomyces cerevisiae of beta-naphthoflavone-induced rabbit liver P450 LM4 and LM6 Eur. J. Biochem. 177 1988 285 293
-
(1988)
Eur. J. Biochem.
, vol.177
, pp. 285-293
-
-
Pompon, D.1
-
23
-
-
0027480346
-
Enhanced in vivo monooxygenase activities of mammalian P450s in engineered yeast cells producing high levels of NADPH-P450 reductase and human cytochrome b5
-
G. Truan, C. Cullin, P. Reisdorf, P. Urban, and D. Pompon Enhanced in vivo monooxygenase activities of mammalian P450s in engineered yeast cells producing high levels of NADPH-P450 reductase and human cytochrome b5 Gene 125 1993 49 55
-
(1993)
Gene
, vol.125
, pp. 49-55
-
-
Truan, G.1
Cullin, C.2
Reisdorf, P.3
Urban, P.4
Pompon, D.5
-
24
-
-
0029776005
-
Yeast expression of animal and plant P450s in optimized environments
-
D. Pompon, B. Louerat, A. Bronine, and P. Urban Yeast expression of animal and plant P450s in optimized environments Methods Enzymol. 272 1996 51 64
-
(1996)
Methods Enzymol.
, vol.272
, pp. 51-64
-
-
Pompon, D.1
Louerat, B.2
Bronine, A.3
Urban, P.4
-
25
-
-
33846370752
-
A combinatorial approach to substrate discrimination in the P450 CYP1A subfamily
-
V. Taly, P. Urban, G. Truan, and D. Pompon A combinatorial approach to substrate discrimination in the P450 CYP1A subfamily Biochim. Biophys. Acta 1770 2007 446 457
-
(2007)
Biochim. Biophys. Acta
, vol.1770
, pp. 446-457
-
-
Taly, V.1
Urban, P.2
Truan, G.3
Pompon, D.4
-
26
-
-
0024425831
-
Protein engineering by cDNA recombination in yeasts: Shuffling of mammalian cytochrome P-450 functions
-
D. Pompon, and A. Nicolas Protein engineering by cDNA recombination in yeasts: shuffling of mammalian cytochrome P-450 functions Gene 83 1989 15 24
-
(1989)
Gene
, vol.83
, pp. 15-24
-
-
Pompon, D.1
Nicolas, A.2
-
27
-
-
0034667190
-
High efficiency family shuffling based on multi-step PCR and in vivo DNA recombination in yeast: Statistical and functional analysis of a combinatorial library between human cytochrome P450 1A1 and 1A2
-
V. Abécassis, D. Pompon, and G. Truan High efficiency family shuffling based on multi-step PCR and in vivo DNA recombination in yeast: statistical and functional analysis of a combinatorial library between human cytochrome P450 1A1 and 1A2 Nucleic Acids Res. 28 2000 e88
-
(2000)
Nucleic Acids Res.
, vol.28
, pp. e88
-
-
Abécassis, V.1
Pompon, D.2
Truan, G.3
-
28
-
-
0034961867
-
Cytochrome P450 (CYP) mutants and substrate-specificity alterations: Segment-directed mutagenesis applied to human CYP1A1
-
P. Urban, A.S. Jobert, R. Lainé, and D. Pompon Cytochrome P450 (CYP) mutants and substrate-specificity alterations: segment-directed mutagenesis applied to human CYP1A1 Biochem. Soc. Trans. 29 2001 128 135
-
(2001)
Biochem. Soc. Trans.
, vol.29
, pp. 128-135
-
-
Urban, P.1
Jobert, A.S.2
Lainé, R.3
Pompon, D.4
-
29
-
-
48949117165
-
High-throughput enzymology and combinatorial mutagenesis for mining cytochrome P450 functions
-
P. Urban, G. Truan, and D. Pompon High-throughput enzymology and combinatorial mutagenesis for mining cytochrome P450 functions Expert Opin. Drug Metab. Toxicol. 4 2008 733 747
-
(2008)
Expert Opin. Drug Metab. Toxicol.
, vol.4
, pp. 733-747
-
-
Urban, P.1
Truan, G.2
Pompon, D.3
-
30
-
-
84921298433
-
High-throughput functional screening of steroid substrates with wild-type and chimeric P450 enzymes
-
(Article ID 764102, 11 pages)
-
P. Urban, G. Truan, and D. Pompon High-throughput functional screening of steroid substrates with wild-type and chimeric P450 enzymes Biomed. Res. Int. 2014 2014 (Article ID 764102, 11 pages)
-
(2014)
Biomed. Res. Int.
, vol.2014
-
-
Urban, P.1
Truan, G.2
Pompon, D.3
-
33
-
-
34347235844
-
Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2
-
S. Sansen, J.K. Yano, R.L. Reynald, G.A. Schoch, K.J. Griffith, C.D. Stout, and E.F. Johnson Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2 J. Biol. Chem. 282 2007 14348 14355
-
(2007)
J. Biol. Chem.
, vol.282
, pp. 14348-14355
-
-
Sansen, S.1
Yano, J.K.2
Reynald, R.L.3
Schoch, G.A.4
Griffith, K.J.5
Stout, C.D.6
Johnson, E.F.7
-
34
-
-
84877134071
-
Human cytochrome P450 1A1 structure and utility in understanding drug and xenobiotic metabolism
-
A.A. Walsh, G.D. Szklarz, and E.E. Scott Human cytochrome P450 1A1 structure and utility in understanding drug and xenobiotic metabolism J. Biol. Chem. 288 2013 12932 12943
-
(2013)
J. Biol. Chem.
, vol.288
, pp. 12932-12943
-
-
Walsh, A.A.1
Szklarz, G.D.2
Scott, E.E.3
-
35
-
-
33947216799
-
Diversification of catalytic function in a synthetic family of chimeric cytochrome P450s
-
M. Landwehr, M. Carbone, C.R. Otey, Y. Li, and F.H. Arnold Diversification of catalytic function in a synthetic family of chimeric cytochrome P450s Chem. Biol. 14 2007 269 278
-
(2007)
Chem. Biol.
, vol.14
, pp. 269-278
-
-
Landwehr, M.1
Carbone, M.2
Otey, C.R.3
Li, Y.4
Arnold, F.H.5
-
36
-
-
84971185409
-
The correlation between relatives on the supposition of Mendelian inheritance
-
R.A. Fisher The correlation between relatives on the supposition of Mendelian inheritance Trans. R. Soc. Edinb. 52 1919 399 433
-
(1919)
Trans. R. Soc. Edinb.
, vol.52
, pp. 399-433
-
-
Fisher, R.A.1
-
37
-
-
0037377894
-
Characterization of substrate binding to cytochrome P450 1A1 using molecular modeling and kinetic analyses: Case of residue 382
-
J. Liu, S.S. Ericksen, M. Silvaneri, D. Besspiata, C.W. Fisher, and G.D. Szklarz Characterization of substrate binding to cytochrome P450 1A1 using molecular modeling and kinetic analyses: case of residue 382 Drug Metab. Dispos. 31 2003 412 420
-
(2003)
Drug Metab. Dispos.
, vol.31
, pp. 412-420
-
-
Liu, J.1
Ericksen, S.S.2
Silvaneri, M.3
Besspiata, D.4
Fisher, C.W.5
Szklarz, G.D.6
-
38
-
-
44249097769
-
Phenotype of the Cyp1a1/1a2/1b1 -/- triple-knockout mouse
-
N. Dragin, Z. Shi, R. Madan, C.L. Karp, M.A. Sartor, C. Chen, F.J. Gonzalez, and D.W. Nerbert Phenotype of the Cyp1a1/1a2/1b1 -/- triple-knockout mouse Mol. Pharmacol. 73 2008 1844 1856
-
(2008)
Mol. Pharmacol.
, vol.73
, pp. 1844-1856
-
-
Dragin, N.1
Shi, Z.2
Madan, R.3
Karp, C.L.4
Sartor, M.A.5
Chen, C.6
Gonzalez, F.J.7
Nerbert, D.W.8
-
39
-
-
70149110672
-
Polymorphism of human cytochrome P450 enzymes and its clinical impact
-
S.F. Zhou, J.P. Liu, and B. Chowbay Polymorphism of human cytochrome P450 enzymes and its clinical impact Drug Metab. Rev. 41 2009 89 95
-
(2009)
Drug Metab. Rev.
, vol.41
, pp. 89-95
-
-
Zhou, S.F.1
Liu, J.P.2
Chowbay, B.3
-
40
-
-
84868156224
-
CAVER 3.0: A tool for the analysis of transport pathways in dynamic protein structures
-
E. Chovacova, A. Pavelka, P. Benes, O. Stranad, J. Brezovsky, B. Kozlikova, A. Gora, V. Sustr, M. Klvana, P. Medek, L. Bierdermannova, J. Sochor, and J. Damborsky CAVER 3.0: a tool for the analysis of transport pathways in dynamic protein structures PLoS Comput. Biol. 8 2012 e1002708
-
(2012)
PLoS Comput. Biol.
, vol.8
, pp. e1002708
-
-
Chovacova, E.1
Pavelka, A.2
Benes, P.3
Stranad, O.4
Brezovsky, J.5
Kozlikova, B.6
Gora, A.7
Sustr, V.8
Klvana, M.9
Medek, P.10
Bierdermannova, L.11
Sochor, J.12
Damborsky, J.13
-
41
-
-
84863348961
-
Investigation of indazole unbinding pathways in CYP2E1 by molecular dynamics simulations
-
Z. Shen, F. Cheng, Y. Xu, J. Fu, W. Xiao, J. Shen, G. Liu, W. Li, and Y. Tang Investigation of indazole unbinding pathways in CYP2E1 by molecular dynamics simulations PLoS ONE 7 2012 e33500
-
(2012)
PLoS ONE
, vol.7
, pp. e33500
-
-
Shen, Z.1
Cheng, F.2
Xu, Y.3
Fu, J.4
Xiao, W.5
Shen, J.6
Liu, G.7
Li, W.8
Tang, Y.9
-
42
-
-
84866389270
-
Conformational adaptation of human cytochrome P450 2B6 and rabbit cytochrome P450 2B4 revealed upon binding multiple amlodipine molecules
-
M.B. Shah, P. Ross Wilderman, J. Pascual, Q. Zhang, C.D. Stout, and J.R. Halpert Conformational adaptation of human cytochrome P450 2B6 and rabbit cytochrome P450 2B4 revealed upon binding multiple amlodipine molecules Biochemistry 51 2012 7225 7238
-
(2012)
Biochemistry
, vol.51
, pp. 7225-7238
-
-
Shah, M.B.1
Ross Wilderman, P.2
Pascual, J.3
Zhang, Q.4
Stout, C.D.5
Halpert, J.R.6
-
43
-
-
84863685665
-
Conformational dynamics of CYP3A4 demonstrate the important role of Arg212 coupled with the opening of ingress, egress and solvent channels to dehydrogenation of 4-hydroxy-tamoxifen
-
K. Shahrokh, T.E. Cheatham III, and G.S. Yost Conformational dynamics of CYP3A4 demonstrate the important role of Arg212 coupled with the opening of ingress, egress and solvent channels to dehydrogenation of 4-hydroxy-tamoxifen Biochim. Biophys. Acta 1820 2012 1605 1617
-
(2012)
Biochim. Biophys. Acta
, vol.1820
, pp. 1605-1617
-
-
Shahrokh, K.1
Cheatham, T.E.2
Yost, G.S.3
-
44
-
-
84858450938
-
Structural differences between soluble and membrane bound cytochrome P450s
-
I.G. Denisov, A.Y. Shih, and S.G. Sligar Structural differences between soluble and membrane bound cytochrome P450s J. Inorg. Biochem. 108 2012 150 158
-
(2012)
J. Inorg. Biochem.
, vol.108
, pp. 150-158
-
-
Denisov, I.G.1
Shih, A.Y.2
Sligar, S.G.3
-
45
-
-
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. Ludemann, V. Lounas, 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
-
-
Ludemann, S.K.1
Lounas, V.2
Wade, R.C.3
-
46
-
-
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. Ludemann, V. Lounas, 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
-
-
Ludemann, S.K.1
Lounas, V.2
Wade, R.C.3
-
47
-
-
50849107731
-
MolAxis: Efficient and accurate identification of channels in macromolecules
-
E. Yaffe, D. Fishelovitch, H.J. Wolfson, D. Halperin, and R. Nussinov MolAxis: efficient and accurate identification of channels in macromolecules Proteins 73 2008 72 86
-
(2008)
Proteins
, vol.73
, pp. 72-86
-
-
Yaffe, E.1
Fishelovitch, D.2
Wolfson, H.J.3
Halperin, D.4
Nussinov, R.5
-
48
-
-
84897826636
-
Computing cavities, channels, pores and pockets in proteins from non-spherical ligand models
-
L. Benkaidali, F. Andre, B. Maouche, P. Siregar, M. Benyettou, F. Maurel, and M. Petitjean Computing cavities, channels, pores and pockets in proteins from non-spherical ligand models Bioinformatics 30 2014 792 800
-
(2014)
Bioinformatics
, vol.30
, pp. 792-800
-
-
Benkaidali, L.1
Andre, F.2
Maouche, B.3
Siregar, P.4
Benyettou, M.5
Maurel, F.6
Petitjean, M.7
-
50
-
-
84874625062
-
Molecular insight into affinities of drugs and their metabolites to lipid bilayers
-
M. Paloncyova, K. Berka, and M. Otyepka Molecular insight into affinities of drugs and their metabolites to lipid bilayers J. Phys. Chem. B 117 2013 2403 2410
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 2403-2410
-
-
Paloncyova, M.1
Berka, K.2
Otyepka, M.3
-
51
-
-
80054709526
-
Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site
-
K. Berka, T. Hendrychova, P. Anzenbacher, and M. Otyepka Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site J. Phys. Chem. A 115 2011 11248 11255
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 11248-11255
-
-
Berka, K.1
Hendrychova, T.2
Anzenbacher, P.3
Otyepka, M.4
-
52
-
-
84896299039
-
Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer
-
B.C. Monk, T.M. Tomasiak, M.V. Keniya, F.A. Huschmann, J.D.A. Tyndall, J.D. O'Connell III, R.D. Cannon, J.G. McDonald, A. Rodriguez, J.S. Finer-Moore, and R.M. Stroud Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer Proc. Natl. Acad. Sci. U. S. A. 111 2014 3865 3870
-
(2014)
Proc. Natl. Acad. Sci. U. S. A.
, vol.111
, pp. 3865-3870
-
-
Monk, B.C.1
Tomasiak, T.M.2
Keniya, M.V.3
Huschmann, F.A.4
Tyndall, J.D.A.5
O'Connell, J.D.6
Cannon, R.D.7
McDonald, J.G.8
Rodriguez, A.9
Finer-Moore, J.S.10
Stroud, R.M.11
-
55
-
-
0021766921
-
Cavities in proteins: Structure of a metmyoglobin-xenon complex solved to 1.9 Å
-
R.F. Tilton Jr., I.D. Kuntz Jr., and G.A. Petsko Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 Å Biochemistry 23 1984 2849 2857
-
(1984)
Biochemistry
, vol.23
, pp. 2849-2857
-
-
Tilton, Jr.R.F.1
Kuntz, Jr.I.D.2
Petsko, G.A.3
-
56
-
-
0030768765
-
Ligand migration in sperm whale myoglobin
-
E.E. Scott, and Q.H. Gibson Ligand migration in sperm whale myoglobin Biochemistry 36 1997 11909 11917
-
(1997)
Biochemistry
, vol.36
, pp. 11909-11917
-
-
Scott, E.E.1
Gibson, Q.H.2
-
57
-
-
0037414281
-
Equilibrium O2 distribution in the Zn2 +-protoporphyrin IX deoxymyoglobin mimic: Application to oxygen migration pathway analysis
-
L. McNaughton, G. Hernandez, and D.M. LeMaster Equilibrium O2 distribution in the Zn2 +-protoporphyrin IX deoxymyoglobin mimic: application to oxygen migration pathway analysis J. Am. Chem. Soc. 125 2003 3813 3820
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 3813-3820
-
-
McNaughton, L.1
Hernandez, G.2
Lemaster, D.M.3
-
58
-
-
80051971672
-
Modulating distal cavities in the α and β subunits of human HbA reveals the primary ligand migration pathway
-
I. Birukou, D.H. Maillett, A. Birukova, and J.S. Olson Modulating distal cavities in the α and β subunits of human HbA reveals the primary ligand migration pathway Biochemistry 50 2011 7361 7374
-
(2011)
Biochemistry
, vol.50
, pp. 7361-7374
-
-
Birukou, I.1
Maillett, D.H.2
Birukova, A.3
Olson, J.S.4
-
59
-
-
0345244851
-
Structural basis for the substrate selectivity of pancreatic lipases and some related proteins
-
F. Carriere, C. Withers-Martinez, H. van Tilbeurgh, A. Roussel, C. Cambillau, and R. Verger Structural basis for the substrate selectivity of pancreatic lipases and some related proteins Biochim. Biophys. Acta 1376 1998 417 432
-
(1998)
Biochim. Biophys. Acta
, vol.1376
, pp. 417-432
-
-
Carriere, F.1
Withers-Martinez, C.2
Van Tilbeurgh, H.3
Roussel, A.4
Cambillau, C.5
Verger, R.6
-
60
-
-
78349281122
-
Solvent-induced lid opening in lipases: A molecular dynamics study
-
S. Rehm, P. Trodler, and J. Pleiss Solvent-induced lid opening in lipases: a molecular dynamics study Protein Sci. 19 2010 2122 2130
-
(2010)
Protein Sci.
, vol.19
, pp. 2122-2130
-
-
Rehm, S.1
Trodler, P.2
Pleiss, J.3
-
61
-
-
79960095873
-
A mixed molecular modeling robotics approach to investigate lipase large molecular motions
-
S. Barbe, J. Cortes, T. Simeon, P. Monsan, M. Remaud-Simeon, and I. Andre A mixed molecular modeling robotics approach to investigate lipase large molecular motions Proteins 79 2011 2517 2529
-
(2011)
Proteins
, vol.79
, pp. 2517-2529
-
-
Barbe, S.1
Cortes, J.2
Simeon, T.3
Monsan, P.4
Remaud-Simeon, M.5
Andre, I.6
-
62
-
-
49249124064
-
A structure-controlled investigation of lipase enantioselectivity by a path planning approach
-
D. Guieysse, J. Cortes, S. Puech-Guenot, S. Barbe, V. Lafaquiere, P. Monsan, T. Simeon, I. Andre, and M. Remaud-Simeon A structure-controlled investigation of lipase enantioselectivity by a path planning approach Chem. Biochem. 9 2008 1308 1317
-
(2008)
Chem. Biochem.
, vol.9
, pp. 1308-1317
-
-
Guieysse, D.1
Cortes, J.2
Puech-Guenot, S.3
Barbe, S.4
Lafaquiere, V.5
Monsan, P.6
Simeon, T.7
Andre, I.8
Remaud-Simeon, M.9
-
63
-
-
77956244306
-
Pyruvate formate-lyase: Evidence for an open conformation favored in the presence of its activating enzyme
-
Y. Peng, S.E. Venziano, G.D. Gillispie, and J.B. Broderick Pyruvate formate-lyase: evidence for an open conformation favored in the presence of its activating enzyme J. Biol. Chem. 285 2010 27224 27231
-
(2010)
J. Biol. Chem.
, vol.285
, pp. 27224-27231
-
-
Peng, Y.1
Venziano, S.E.2
Gillispie, G.D.3
Broderick, J.B.4
-
64
-
-
0037117562
-
Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine
-
P.J. Winn, S.K. Ludemann, R. Gauges, V. Lounnas, and R.C. Wade Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine Proc. Natl. Acad. Sci. U. S. A. 99 2002 5361 5366
-
(2002)
Proc. Natl. Acad. Sci. U. S. A.
, vol.99
, pp. 5361-5366
-
-
Winn, P.J.1
Ludemann, S.K.2
Gauges, R.3
Lounnas, V.4
Wade, R.C.5
-
65
-
-
70350028665
-
Effect of conformational dynamics on substrate recognition and specificity as probed by the introduction of a de novo disulfide bond into cytochrome P450 2B1
-
H. Zhang, C. Kenaan, D. Hamdane, G.H. Hoa, and P.F. Hollenberg Effect of conformational dynamics on substrate recognition and specificity as probed by the introduction of a de novo disulfide bond into cytochrome P450 2B1 J. Biol. Chem. 284 2009 25678 25686
-
(2009)
J. Biol. Chem.
, vol.284
, pp. 25678-25686
-
-
Zhang, H.1
Kenaan, C.2
Hamdane, D.3
Hoa, G.H.4
Hollenberg, P.F.5
-
66
-
-
78649837413
-
Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations
-
W. Li, J. Shen, G. Liu, Y. Tang, and T. Hoshino Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations Proteins 79 2011 271 281
-
(2011)
Proteins
, vol.79
, pp. 271-281
-
-
Li, W.1
Shen, J.2
Liu, G.3
Tang, Y.4
Hoshino, T.5
-
67
-
-
70349509736
-
Theoretical characterization of substrate access/exit channels in the human cytochrome P450 3A4 enzyme: Involvement of phenylalanine residues in the gating mechanism
-
D. Fishelovitch, S. SHaik, H.J. Wolfson, and R. Nussinov Theoretical characterization of substrate access/exit channels in the human cytochrome P450 3A4 enzyme: involvement of phenylalanine residues in the gating mechanism J. Phys. Chem. B 113 2009 13018 13025
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 13018-13025
-
-
Fishelovitch, D.1
Shaik, S.2
Wolfson, H.J.3
Nussinov, R.4
-
68
-
-
3442896773
-
Crystal structure of human cytochrome P450 3A4 bound to metyrapone and progesterone
-
P.A. Williams, J. Cosme, D.M. Vinkovic, A. Ward, H.C. Angove, P.J. Day, C. Vonrhein, I.J. Tickle, and H. Jhoti Crystal structure 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
Vinkovic, D.M.3
Ward, A.4
Angove, H.C.5
Day, P.J.6
Vonrhein, C.7
Tickle, I.J.8
Jhoti, H.9
-
69
-
-
34548309047
-
Structural evidence for a functionally relevant second camphor binding site in P450cam: Model for substrate entry into a P450 active site
-
H. Yao, C.R. McCullough, A.D. Costache, P.K. Pullela, and D.S. Sem Structural evidence for a functionally relevant second camphor binding site in P450cam: model for substrate entry into a P450 active site Proteins 69 2007 125 138
-
(2007)
Proteins
, vol.69
, pp. 125-138
-
-
Yao, H.1
McCullough, C.R.2
Costache, A.D.3
Pullela, P.K.4
Sem, D.S.5
-
70
-
-
79551473016
-
The structure of CYP101D2 unveils a potential path for substrate entry into the active site
-
W. Yang, S.G. Bell, H. Wang, W. Zhou, M. Bartlam, L.L. Wong, and Z. Rao The structure of CYP101D2 unveils a potential path for substrate entry into the active site Biochem. J. 433 2011 85 93
-
(2011)
Biochem. J.
, vol.433
, pp. 85-93
-
-
Yang, W.1
Bell, S.G.2
Wang, H.3
Zhou, W.4
Bartlam, M.5
Wong, L.L.6
Rao, Z.7
-
71
-
-
54849436848
-
Allosteric transitions in cytochrome P450eryF explored with pressure-perturbation spectroscopy, lifetime FRET, and a novel fluorescent substrate, Fluorol-7GA
-
D.R. Davydof, N.Y. Davydova, and J.R. Halpert Allosteric transitions in cytochrome P450eryF explored with pressure-perturbation spectroscopy, lifetime FRET, and a novel fluorescent substrate, Fluorol-7GA Biochemistry 47 2008 11348 11359
-
(2008)
Biochemistry
, vol.47
, pp. 11348-11359
-
-
Davydof, D.R.1
Davydova, N.Y.2
Halpert, J.R.3
-
72
-
-
33748796911
-
A malleable catalyst dominates the metabolism of drugs
-
F.P. Guengerich A malleable catalyst dominates the metabolism of drugs Proc. Natl. Acad. Sci. U. S. A. 103 2006 13565 13566
-
(2006)
Proc. Natl. Acad. Sci. U. S. A.
, vol.103
, pp. 13565-13566
-
-
Guengerich, F.P.1
-
73
-
-
33748802003
-
Structural basis for ligand promiscuity in cytochrome P450 3A4
-
M. Ekroos, and T. Sjögren Structural basis for ligand promiscuity in cytochrome P450 3A4 Proc. Natl. Acad. Sci. U. S. A. 103 2006 13682 13687
-
(2006)
Proc. Natl. Acad. Sci. U. S. A.
, vol.103
, pp. 13682-13687
-
-
Ekroos, M.1
Sjögren, T.2
-
75
-
-
33846373967
-
Structure-function analysis of cytochromes P450 2B
-
Y. Zhao, and J.R. Halpert Structure-function analysis of cytochromes P450 2B Biochim. Biophys. Acta 1770 2007 402 412
-
(2007)
Biochim. Biophys. Acta
, vol.1770
, pp. 402-412
-
-
Zhao, Y.1
Halpert, J.R.2
-
76
-
-
84885179307
-
Advances in molecular modeling of human cytochrome P450 polymorphism
-
V.Y. Martiny, and M.A. Miteva Advances in molecular modeling of human cytochrome P450 polymorphism J. Mol. Biol. 425 2013 3978 3992
-
(2013)
J. Mol. Biol.
, vol.425
, pp. 3978-3992
-
-
Martiny, V.Y.1
Miteva, M.A.2
-
77
-
-
84879053714
-
Structural diversity of eukaryotic membrane cytochrome P450s
-
E.F. Johnson, and C.D. Stout Structural diversity of eukaryotic membrane cytochrome P450s J. Biol. Chem. 288 2013 17082 17090
-
(2013)
J. Biol. Chem.
, vol.288
, pp. 17082-17090
-
-
Johnson, E.F.1
Stout, C.D.2
-
78
-
-
49149089445
-
Flexibility of human cytochromes P450: Molecular dynamics reveals differences between CYPs 3A4, 2C9, and 2A6 which correlate with their substrate preferences
-
J. Skopalik, P. Anzenbacher, and M. Otyepka Flexibility of human cytochromes P450: molecular dynamics reveals differences between CYPs 3A4, 2C9, and 2A6 which correlate with their substrate preferences J. Phys. Chem. B 112 2008 8165 8173
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 8165-8173
-
-
Skopalik, J.1
Anzenbacher, P.2
Otyepka, M.3
-
79
-
-
84880380323
-
Structural and thermodynamic basis of (+)-α-pinene binding to human cytochrome P450 2B6
-
P. Ross Wilderman, M.B. Shah, H.H. Jang, C.D. Stout, and J.R. Halpert Structural and thermodynamic basis of (+)-α-pinene binding to human cytochrome P450 2B6 J. Am. Chem. Soc. 135 2013 10433 10440
-
(2013)
J. Am. Chem. Soc.
, vol.135
, pp. 10433-10440
-
-
Ross Wilderman, P.1
Shah, M.B.2
Jang, H.H.3
Stout, C.D.4
Halpert, J.R.5
-
80
-
-
34547874310
-
Exploring the binding site of the haloalkane dehalogenase Dh1A from Xanthobacter autotrophicus GJ10
-
M. Silberstein, J. Damborsky, and S. Vajda Exploring the binding site of the haloalkane dehalogenase Dh1A from Xanthobacter autotrophicus GJ10 Biochemistry 46 2007 9239 9249
-
(2007)
Biochemistry
, vol.46
, pp. 9239-9249
-
-
Silberstein, M.1
Damborsky, J.2
Vajda, S.3
-
81
-
-
70349330482
-
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate
-
M. Pavlova, M. Klvana, Z. Prokop, R. Chaloupkova, P. Banas, M. Otyepka, R.C. Wade, M. Tsuda, Y. Nagata, and J. Damborsky Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate Nat. Chem. Biol. 5 2009 727 733
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 727-733
-
-
Pavlova, M.1
Klvana, M.2
Prokop, Z.3
Chaloupkova, R.4
Banas, P.5
Otyepka, M.6
Wade, R.C.7
Tsuda, M.8
Nagata, Y.9
Damborsky, J.10
|