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PDB: 112 件
6UNL
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BU of 6unl by Molmil
CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2019-10-12
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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
4K9W
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BU of 4k9w by Molmil
Complex of human CYP3A4 with a desoxyritonavir analog
分子名称: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
5TE8
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BU of 5te8 by Molmil
Crystal structure of the midazolam-bound human CYP3A4
分子名称: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I, Poulos, T.
登録日2016-09-20
公開日2016-12-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for regiospecific midazolam oxidation by human cytochrome P450 3A4.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FS7
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BU of 5fs7 by Molmil
Crystal structure of the G262S mutant of human apoptosis inducing factor
分子名称: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE
著者Sevrioukova, I.
登録日2015-12-30
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders.
J.Mol.Biol., 428, 2016
5FS9
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BU of 5fs9 by Molmil
Crystal structure of the G338E mutant of human apoptosis inducing factor
分子名称: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Sevrioukova, I.
登録日2015-12-31
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders.
J.Mol.Biol., 428, 2016
4K9V
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BU of 4k9v by Molmil
Complex of CYP3A4 with a desoxyritonavir analog
分子名称: 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4K9T
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BU of 4k9t by Molmil
Complex of CYP3A4 with a desoxyritonavir analog
分子名称: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
7UFE
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BU of 7ufe by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ...
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
5VCD
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BU of 5vcd by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to glycerol
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
4K9X
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BU of 4k9x by Molmil
Complex of human CYP3A4 with a desoxyritonavir analog
分子名称: 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
5VCC
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BU of 5vcc by Molmil
Crystal structure of human CYP3A4 bound to glycerol
分子名称: 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
4K9U
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BU of 4k9u by Molmil
Complex of human CYP3A4 with a desoxyritonavir analog
分子名称: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
6UNM
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BU of 6unm by Molmil
CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2019-10-12
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
6UNJ
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BU of 6unj by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2019-10-12
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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
7UFC
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BU of 7ufc by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UFD
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BU of 7ufd by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
7UAY
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BU of 7uay by Molmil
Crystal structure of human CYP3A4 with the caged inhibitor
分子名称: (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-14
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.
Inorg.Chem., 61, 2022
7UAZ
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BU of 7uaz by Molmil
Crystal structure of human CYP3A4 with the caged inhibitor
分子名称: (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2022-03-14
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.
Inorg.Chem., 61, 2022
5VC0
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BU of 5vc0 by Molmil
Crystal structure of human CYP3A4 bound to ritonavir
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
著者Sevrioukova, I.
登録日2017-03-30
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
5VCE
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BU of 5vce by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to ritonavir
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
1OQR
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BU of 1oqr by Molmil
Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Sevrioukova, I.F, Garcia, C, Li, H, Bhaskar, B, Poulos, T.L.
登録日2003-03-10
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of putidaredoxin, the [2Fe-2S] component of the P450cam monooxygenase system from Pseudomonas putida
J.MOL.BIOL., 333, 2003
5VCG
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BU of 5vcg by Molmil
Crystal structure of the cysteine depleted CYP3A4 bound to bromoergocryptine
分子名称: Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I.
登録日2017-03-31
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4.
Biochemistry, 56, 2017
4I4G
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BU of 4i4g by Molmil
Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir
分子名称: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2012-11-27
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013

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