Author results

4XRY
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HUMAN CYTOCHROME P450 2D6 BACE1 INHIBITOR 5 COMPLEX
Descriptor:Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, ...
Authors:Johnson, E.F., Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
4XRZ
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HUMAN CYTOCHROME P450 2D6 BACE1 INHIBITOR 6 COMPLEX
Descriptor:Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, ...
Authors:Johnson, E.F., Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
5W0C
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CYTOCHROME P450 (CYP) 2C9 TCA007 INHIBITOR COMPLEX
Descriptor:Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate, ...
Authors:Johnson, E.F., Hsu, M.-H.
Deposit date:2017-05-30
Release date:2017-09-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
1N6B
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MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH A DIMETHYL DERIVATIVE OF SULFAPHENAZOLE
Descriptor:Cytochrome P450 2C5, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wester, M.R., Johnson, E.F., Marques-Soares, C., Dansette, P.M., Mansuy, D., Stout, C.D.
Deposit date:2002-11-09
Release date:2003-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a Substrate Complex of Mammalian Cytochrome P450 2C5 at 2.3 A Resolution: Evidence for Multiple Substrate Binding Modes
Biochemistry, 42, 2003
1DT6
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STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
Descriptor:CYTOCHROME P450 2C5, SAMARIUM (III) ION, SULFATE ION, ...
Authors:Williams, P.A., Cosme, J., Sridhar, V., Johnson, E.F., McRee, D.E.
Deposit date:2000-01-11
Release date:2000-09-27
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
1SUO
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STRUCTURE OF MAMMALIAN CYTOCHROME P450 2B4 WITH BOUND 4-(4-CHLOROPHENYL)IMIDAZOLE
Descriptor:Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, 4-(4-CHLOROPHENYL)IMIDAZOLE
Authors:Scott, E.E., White, M.A., He, Y.A., Johnson, E.F., Stout, C.D., Halpert, J.R.
Deposit date:2004-03-26
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding.
J.Biol.Chem., 279, 2004
2Q9F
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 46A1 IN COMPLEX WITH CHOLESTEROL-3-SULPHATE
Descriptor:Cytochrome P450 46A1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:White, M.A., Mast, N.V., Johnson, E.F., Stout, C.D., Pikuleva, I.A.
Deposit date:2007-06-12
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2Q9G
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CRYSTAL STRUCTURE OF HUMAN CYTOCHROME P450 46A1
Descriptor:Cytochrome P450 46A1, PROTOPORPHYRIN IX CONTAINING FE, GLYCEROL
Authors:White, M.A., Mast, N.V., Johnson, E.F., Stout, C.D., Pikuleva, I.A.
Deposit date:2007-06-12
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1NR6
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MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC
Descriptor:CYTOCHROME P450 2C5, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wester, M.R., Johnson, E.F., Stout, C.D.
Deposit date:2003-01-23
Release date:2003-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding
Biochemistry, 42, 2003
1PO5
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STRUCTURE OF MAMMALIAN CYTOCHROME P450 2B4
Descriptor:Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E., He, Y.A., Wester, M.R., White, M.A., Chin, C.C., Halpert, J.R., Johnson, E.F., Stout, C.D.
Deposit date:2003-06-13
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An open conformation of mammalian cytochrome P450 2B4 at 1.6 A resolution
Proc.Natl.Acad.Sci.USA, 100, 2003
1PQ2
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CRYSTAL STRUCTURE OF HUMAN DRUG METABOLIZING CYTOCHROME P450 2C8
Descriptor:Cytochrome P450 2C8, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Schoch, G.A., Yano, J.K., Wester, M.R., Griffin, K.J., Stout, C.D., Johnson, E.F.
Deposit date:2003-06-17
Release date:2004-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of human microsomal cytochrome P450 2C8. Evidence for a peripheral fatty acid binding site
J.Biol.Chem., 279, 2004
1R9O
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CRYSTAL STRUCTURE OF P4502C9 WITH FLURBIPROFEN BOUND
Descriptor:Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, FLURBIPROFEN, ...
Authors:Wester, M.R., Yano, J.K., Schoch, G.A., Griffin, K.J., Stout, C.D., Johnson, E.F.
Deposit date:2003-10-30
Release date:2004-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Human Cytochrome P450 2C9 Complexed with Flurbiprofen at 2.0 A Resolution
J.Biol.Chem., 279, 2004
1TQN
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CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 3A4
Descriptor:cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yano, J.K., Wester, M.R., Schoch, G.A., Griffin, K.J., Stout, C.D., Johnson, E.F.
Deposit date:2004-06-17
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution
J.Biol.Chem., 279, 2004
1Z10
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CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH COUMARIN BOUND
Descriptor:cytochrome P450, family 2, subfamily A, ...
Authors:Yano, J.K., Hsu, M.H., Griffin, K.J., Stout, C.D., Johnson, E.F.
Deposit date:2005-03-02
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
1Z11
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CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH METHOXSALEN BOUND
Descriptor:cytochrome P450, family 2, subfamily A, ...
Authors:Yano, J.K., Hsu, M.H., Griffin, K.J., Stout, C.D., Johnson, E.F.
Deposit date:2005-03-02
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
2F7X
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PROTEIN KINASE A BOUND TO (S)-2-(1H-INDOL-3-YL)-1-[5-((E)-2-PYRIDIN-4-YL-VINYL)-PYRIDIN-3-YLOXYMETHYL]-ETHYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
Authors:Li, Q., Li, T., Zhu, G.D., Gong, J., Claibone, A., Dalton, C., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Bauch, J.L., Marsh, K.C., Bouska, J.J., Arries, S., De Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
Deposit date:2005-12-01
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
2F7Z
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PROTEIN KINASE A BOUND TO (R)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
Authors:Li, Q., Woods, K.W., Thomas, S., Zhu, G.D., Packard, G., Fisher, J., Li, T., Gong, J., Dinges, J., Song, X., Abrams, J., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Des Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
Deposit date:2005-12-01
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
2FDU
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MICROSOMAL P450 2A6 WITH THE INHIBITOR N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE BOUND
Descriptor:Cytochrome P450 2A6, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FDV
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MICROSOMAL P450 2A6 WITH THE INHIBITOR N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE BOUND
Descriptor:Cytochrome P450 2A6, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FDW
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CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH THE INHIBITOR (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE BOUND
Descriptor:Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Authors:Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FDY
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MICROSOMAL P450 2A6 WITH THE INHIBITOR ADRITHIOL BOUND
Descriptor:Cytochrome P450 2A6, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2005-12-14
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2HI4
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CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 1A2 IN COMPLEX WITH ALPHA-NAPHTHOFLAVONE
Descriptor:Cytochrome P450 1A2, PROTOPORPHYRIN IX CONTAINING FE, 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE
Authors:Sansen, S., Yano, J.K., Reynald, R.L., Schoch, G.S., Stout, C.D., Johnson, E.F.
Deposit date:2006-06-29
Release date:2007-02-20
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2.
J.Biol.Chem., 282, 2007
2NNH
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CYP2C8DH COMPLEXED WITH 2 MOLECULES OF 9-CIS RETINOIC ACID
Descriptor:Cytochrome P450 2C8, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Schoch, G.A., Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2016-11-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
2NNI
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CYP2C8DH COMPLEXED WITH MONTELUKAST
Descriptor:Cytochrome P450 2C8, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Schoch, G.A., Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008
2NNJ
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CYP2C8DH COMPLEXED WITH FELODIPINE
Descriptor:Cytochrome P450 2C8, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Schoch, G.A., Yano, J.K., Stout, C.D., Johnson, E.F.
Deposit date:2006-10-24
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J.Biol.Chem., 283, 2008