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PDB: 113 件
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
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
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
1XLN
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BU of 1xln by Molmil
Crystal structure of oxidized C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Sevrioukova, I.F.
登録日2004-09-30
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Redox-dependent Structural Reorganization in Putidaredoxin, a Vertebrate-type [2Fe-2S] Ferredoxin from Pseudomonas putida.
J.Mol.Biol., 347, 2005
1XLO
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BU of 1xlo by Molmil
Structure of reduced C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Sevrioukova, I.F.
登録日2004-09-30
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Redox-dependent Structural Reorganization in Putidaredoxin, a Vertebrate-type [2Fe-2S] Ferredoxin from Pseudomonas putida.
J.Mol.Biol., 347, 2005
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
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
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
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
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
1Q1R
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BU of 1q1r by Molmil
Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putidaredoxin reductase
著者Sevrioukova, I.F, Li, H, Poulos, T.L.
登録日2003-07-22
公開日2004-02-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of putidaredoxin reductase from Pseudomonas putida, the final structural component of the cytochrome P450cam monooxygenase.
J.Mol.Biol., 336, 2004
1Q1W
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BU of 1q1w by Molmil
Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putidaredoxin reductase
著者Sevrioukova, I.F, Li, H, Poulos, T.L.
登録日2003-07-22
公開日2004-02-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of putidaredoxin reductase from Pseudomonas putida, the final structural component of the cytochrome P450cam monooxygenase.
J.Mol.Biol., 336, 2004
1OQQ
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BU of 1oqq by Molmil
Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A 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2024-02-14
実験手法X-RAY DIFFRACTION (1.47 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
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
6BDH
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BU of 6bdh by Molmil
Crystal structure of human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.
登録日2017-10-23
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
5FS6
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BU of 5fs6 by Molmil
Crystal structure of the V243L mutant of human apoptosis inducing factor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, ...
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 (1.9 Å)
主引用文献Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders
J.Mol.Biol., 428, 2016
6BDI
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BU of 6bdi by Molmil
Crystal structure of human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2017-10-23
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
6BDM
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BU of 6bdm by Molmil
Crystal structure of human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.
登録日2017-10-23
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
6BD8
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BU of 6bd8 by Molmil
Crystal structure of human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide
著者Sevrioukova, I.
登録日2017-10-21
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
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
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
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
5FS8
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BU of 5fs8 by Molmil
Crystal structure of the G308E 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 (1.4 Å)
主引用文献Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders
J.Mol.Biol., 428, 2016
6BD7
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BU of 6bd7 by Molmil
Crystal structure of human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.
登録日2017-10-21
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017

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