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PDB: 14 件
3TBG
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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
4WNU
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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
4WNV
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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
6CSD
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BU of 6csd by Molmil
V308E mutant of cytochrome P450 2D6 complexed with prinomastat
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
登録日2018-03-20
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
6CSB
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BU of 6csb by Molmil
V308E mutant of cytochrome P450 2D6 complexed with thioridazine
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ...
著者Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
登録日2018-03-20
公開日2019-03-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
4XRZ
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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
4XRY
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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
4WNT
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BU of 4wnt by Molmil
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
3TDA
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BU of 3tda by Molmil
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
5TFT
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BU of 5tft by Molmil
Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex
分子名称: (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-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 (2.71 Å)
主引用文献Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
5TFU
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BU of 5tfu by Molmil
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
3QM4
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BU of 3qm4 by Molmil
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
2F9Q
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Crystal Structure of Human Cytochrome P450 2D6
分子名称: Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Rowland, P.
登録日2005-12-06
公開日2005-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Crystal Structure of Human Cytochrome P450 2D6
J.Biol.Chem., 281, 2006
4WNW
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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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件を2024-07-10に公開中

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