6UW2
 
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6L69
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6UPG
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe | | 分子名称: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Nguyen, R.C.D, Yang, Y, Liu, A. | | 登録日 | 2019-10-17 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.393 Å) | | 主引用文献 | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
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6UPI
 | | Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe | | 分子名称: | (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Nguyen, R.C.D, Yang, Y, Liu, A. | | 登録日 | 2019-10-17 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.808 Å) | | 主引用文献 | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
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6UNN
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6UNK
 | | 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)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 著者 | Sevrioukova, I.F. | | 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 (2.75 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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6UNL
 | | 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
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6UNM
 | | 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
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6UNJ
 | | 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
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6UNH
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-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.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 (2.72 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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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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6UNI
 | | 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)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]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 (2.602 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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6UNE
 | | Human CYP3A4 bound to an inhibitor | | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-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.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 (2.55 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
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6L3A
 | | Cytochrome P450 107G1 (RapN) with everolimus | | 分子名称: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | | 登録日 | 2019-10-10 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
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6L39
 | | Cytochrome P450 107G1 (RapN) | | 分子名称: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | 著者 | Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | | 登録日 | 2019-10-10 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
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6T0L
 | | Crystal structure of CYP124 in complex with inhibitor compound 5' | | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0G
 | | Crystal structure of CYP124 in complex with vitamin D3 | | 分子名称: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0K
 | | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole | | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0F
 | | Crystal structure of CYP124 in complex with cholest-4-en-3-one | | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0H
 | | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | | 分子名称: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0J
 | | Crystal structure of CYP124 in complex with SQ109 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
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6L1A
 | | Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine | | 分子名称: | (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | 著者 | Shoji, O, Yonemura, K. | | 登録日 | 2019-09-28 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
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6L1B
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6KZS
 | | Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole | | 分子名称: | Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | 登録日 | 2019-09-25 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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6KZT
 | | Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity | | 分子名称: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | 登録日 | 2019-09-25 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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