6UNG
| Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2019-10-11 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 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
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6MA7
| 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
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3UA1
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3GD3
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3TJS
| Crystal Structure of the complex between human cytochrome P450 3A4 and desthiazolylmethyloxycarbonyl ritonavir | 分子名称: | Cytochrome P450 3A4, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F, Poulos, T.L. | 登録日 | 2011-08-24 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Interaction of human cytochrome P4503A4 with ritonavir analogs. Arch.Biochem.Biophys., 520, 2012
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5G5J
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5A1R
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3GD4
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5FS9
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5VCD
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5FS7
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5TE8
| 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
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5VCC
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1OQR
| 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
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6OOB
| 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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5VC0
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5VCE
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7UF9
| 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-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I. | 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 (2.45 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
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7UFA
| 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-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I. | 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 (2.5 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
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7UFB
| CYP3A4 bound to an inhibitor | 分子名称: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I. | 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 (2.25 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
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5VCG
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1XLQ
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1XLP
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1OQQ
| 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
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1Q1W
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