4XRY
 
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | | 分子名称: | (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, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Johnson, E.F, Fan, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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
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4XRZ
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | | 分子名称: | (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, Cytochrome P450 2D6, GLYCEROL, ... | | 著者 | Johnson, E.F, Fan, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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
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5W0C
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4WNT
 | | Human Cytochrome P450 2D6 Ajmalicine Complex | | 分子名称: | Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4WNW
 | | Human Cytochrome P450 2D6 Thioridazine Complex | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.299 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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8SPD
 | | Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2023-05-02 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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8SG5
 | | Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2023-04-11 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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7SV2
 | | Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin | | 分子名称: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M, Johnson, E.F. | | 登録日 | 2021-11-18 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5.
J.Biol.Chem., 298, 2022
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6C93
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6C94
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6MJM
 | | Substrate Free Cytochrome P450 3A5 (CYP3A5) | | 分子名称: | Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2018-09-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4.
J.Biol.Chem., 294, 2019
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4WNV
 | | Human Cytochrome P450 2D6 Quinine Complex | | 分子名称: | Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4WNU
 | | Human Cytochrome P450 2D6 Quinidine Complex | | 分子名称: | Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2014-10-14 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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1N6B
 | | Microsomal Cytochrome P450 2C5/3LVdH Complex with a dimethyl derivative of sulfaphenazole | | 分子名称: | 4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE, Cytochrome P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wester, M.R, Johnson, E.F, Marques-Soares, C, Dansette, P.M, Mansuy, D, Stout, C.D. | | 登録日 | 2002-11-09 | | 公開日 | 2003-06-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of a Substrate Complex of Mammalian Cytochrome P450 2C5 at 2.3 A Resolution: Evidence
for Multiple Substrate Binding Modes
Biochemistry, 42, 2003
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3TDA
 | | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | | 分子名称: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-08-10 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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3TBG
 | | Human cytochrome P450 2D6 with two thioridazines bound in active site | | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-08-05 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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1DT6
 | | STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5 | | 分子名称: | CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | 著者 | Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E. | | 登録日 | 2000-01-11 | | 公開日 | 2000-09-27 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
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3PM0
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3QM4
 | | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | | 分子名称: | Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Wang, A, Stout, C.D, Johnson, E.F. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound.
J.Biol.Chem., 287, 2012
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4GQS
 | | Structure of Human Microsomal Cytochrome P450 (CYP) 2C19 | | 分子名称: | (4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone, Cytochrome P450 2C19, GLYCEROL, ... | | 著者 | Reynald, R.L, Sansen, S, Stout, C.D, Johnson, E.F. | | 登録日 | 2012-08-23 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structural Characterization of Human Cytochrome P450 2C19: ACTIVE SITE DIFFERENCES BETWEEN P450s 2C8, 2C9, AND 2C19.
J.Biol.Chem., 287, 2012
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4IQ6
 | | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | | 分子名称: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | | 著者 | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | | 登録日 | 2013-01-10 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
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3K9V
 | | Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CHAPS | | 分子名称: | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | | 著者 | Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D. | | 登録日 | 2009-10-16 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
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3K9Y
 | | Crystal structure of rat mitochondrial P450 24A1 S57D in complex with CYMAL-5 | | 分子名称: | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ... | | 著者 | Annalora, A.J, Goodin, D.B, Hong, W, Zhang, Q, Johnson, E.F, Stout, C.D. | | 登録日 | 2009-10-16 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of CYP24A1, a mitochondrial cytochrome P450 involved in vitamin D metabolism.
J.Mol.Biol., 396, 2010
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5TFU
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | 分子名称: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2016-09-26 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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5T6Q
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