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PDB: 113 件
9BBB
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BU of 9bbb by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat
著者Sevrioukova, I.F.
登録日2024-04-05
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir
to be published
4D6Z
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BU of 4d6z by Molmil
Cytochrome P450 3A4 bound to imidazole and an inhibitor
分子名称: CYTOCHROME P450 3A4, GLYCEROL, IMIDAZOLE, ...
著者Sevrioukova, I, Poulos, T.
登録日2014-11-19
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
6DAA
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BU of 6daa by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAJ
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BU of 6daj by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ...
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAB
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BU of 6dab by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAL
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BU of 6dal by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ...
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAC
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BU of 6dac by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
3LB8
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BU of 3lb8 by Molmil
Crystal structure of the covalent putidaredoxin reductase-putidaredoxin complex
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Putidaredoxin, ...
著者Sevrioukova, I.F.
登録日2010-01-07
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the putidaredoxin reductase x putidaredoxin electron transfer complex.
J.Biol.Chem., 285, 2010
4D7D
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BU of 4d7d by Molmil
Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
著者Sevrioukova, I, Poulos, T.
登録日2014-11-22
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D75
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BU of 4d75 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
著者Sevrioukova, I, Poulos, T.
登録日2014-11-19
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4D78
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BU of 4d78 by Molmil
Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I, Poulos, T.
登録日2014-11-21
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
8SO2
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BU of 8so2 by Molmil
Human CYP3A4 bound to a substrate
分子名称: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2023-04-28
公開日2023-08-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
4FDC
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BU of 4fdc by Molmil
Crystal structure of the E493V mutant of human apoptosis inducing factor (AIF)
分子名称: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者Sevrioukova, I.F.
登録日2012-05-27
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cowchock syndrome is associated with a mutation in apoptosis-inducing factor.
Am.J.Hum.Genet., 91, 2012
8SO1
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BU of 8so1 by Molmil
Human CYP3A4 bound to three caffeine molecules
分子名称: CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2023-04-28
公開日2023-08-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
3NXU
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BU of 3nxu by Molmil
Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir
分子名称: Cytochrome P450 3A4, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I.F, Poulos, T.L.
登録日2010-07-14
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir.
Proc.Natl.Acad.Sci.USA, 107, 2010
5A1P
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BU of 5a1p by Molmil
Crystal structure of cytochrome P450 3A4 bound to progesterone and citrate
分子名称: CITRIC ACID, CYTOCHROME P450 3A4, PROGESTERONE, ...
著者Sevrioukova, I, Poulos, T.
登録日2015-05-04
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Anion-Dependent Stimulation of Cyp3A4 Monooxygenase.
Biochemistry, 54, 2015
7MK8
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BU of 7mk8 by Molmil
Crystal structure of a surface mutant of human fetal-specific CYP3A7 bound to dithiothreitol
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Isoform 2 of Cytochrome P450 3A7, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I.F.
登録日2021-04-21
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis for the Diminished Ligand Binding and Catalytic Ability of Human Fetal-Specific CYP3A7.
Int J Mol Sci, 22, 2021
6MA8
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BU of 6ma8 by Molmil
Human CYP3A4 bound to PMSF
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, DIMETHYL SULFOXIDE, ...
著者Sevrioukova, I.F.
登録日2018-08-26
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
6MA7
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BU of 6ma7 by Molmil
Human CYP3A4 bound to an inhibitor fluconazole
分子名称: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ...
著者Sevrioukova, I.F.
登録日2018-08-26
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
1BVY
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BU of 1bvy by Molmil
COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3)
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ...
著者Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L.
登録日1998-09-21
公開日1999-02-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure of a cytochrome P450-redox partner electron-transfer complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
6MA6
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BU of 6ma6 by Molmil
Human CYP3A4 bound to an inhibitor metyrapone
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.F.
登録日2018-08-26
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
7LXL
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BU of 7lxl by Molmil
Crystal structure of human CYP3A4 bound to the testosterone dimer
分子名称: 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2021-03-04
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Eur.J.Med.Chem., 220, 2021
3GD3
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BU of 3gd3 by Molmil
Crystal structure of a naturally folded murine apoptosis inducing factor
分子名称: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者Sevrioukova, I.F.
登録日2009-02-23
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Redox-linked conformational dynamics in apoptosis-inducing factor
J.Mol.Biol., 390, 2009
3UA1
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BU of 3ua1 by Molmil
Crystal structure of the cytochrome P4503A4-bromoergocryptine complex
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, bromoergocryptine
著者Sevrioukova, I.F, Poulos, T.L.
登録日2011-10-20
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand.
J.Biol.Chem., 287, 2012
6OOB
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BU of 6oob by Molmil
Human CYP3A4 bound to a suicide substrate
分子名称: 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2019-04-22
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin.
Int J Mol Sci, 20, 2019

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