PDB: 1371 件ウェブページステータス検索Chemie searchBIRD

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8DYC	Human CYP3A4 bound to a substrate 分子名称: 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I.F. 登録日 2022-08-04 公開日 2022-10-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site. Int J Mol Sci, 23, 2022
8B2P	CYP153A71 from Acinetobacter dieselolei bound to octanoic acid 分子名称: Cytochrome P450 alkane hydroxylase, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE 著者 Opperman, D.J, Tolmie, C. 登録日 2022-09-14 公開日 2022-11-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 CYP153A71 from Alcanivorax dieselolei: Oxidation beyond Monoterminal Hydroxylation of n-Alkanes Catalysts, 2022
7P5T	Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 分子名称: BROMIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Kavanagh, M, Tunnicliffe, R, McLean, K, Levy, C, Munro, A. 登録日 2021-07-14 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 To Be Published
7TEF	Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Mohamed, H.A, Bruning, J.B, Bell, S.G. 登録日 2022-01-04 公開日 2022-11-30 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis. J.Steroid Biochem.Mol.Biol., 221, 2022
7QAN	Cytochrome P450 Enzyme AbyV 分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... 著者 Parnell, A.E, Back, C.R, Race, P.R. 登録日 2021-11-17 公開日 2022-11-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
8E83	Structure of 2-hydroxyisoflavanone synthase from Medicago truncatula 分子名称: Isoflavone synthase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Pan, H, Wang, X. 登録日 2022-08-25 公開日 2022-11-30 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The protein conformational basis of isoflavone biosynthesis. Commun Biol, 5, 2022
7W97	Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine 分子名称: (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. 登録日 2021-12-09 公開日 2022-12-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine To Be Published
7W9D	Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine 分子名称: (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. 登録日 2021-12-09 公開日 2022-12-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine To Be Published
7W9J	Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, N-[(3S)-2-oxooxolan-3-yl]dodecanamide, ... 著者 Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. 登録日 2021-12-09 公開日 2022-12-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone To Be Published
7WYG	Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid. 分子名称: Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... 著者 Li, F, He, C, Wang, X. 登録日 2022-02-16 公開日 2022-12-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids. Angew.Chem.Int.Ed.Engl., 61, 2022
7QJL	Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Levy, C, Katariya, M. 登録日 2021-12-16 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7QKE	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate 著者 Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. 登録日 2021-12-17 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7QNN	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate 著者 Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7WDH	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
7WDI	Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
7WDG	Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
7WDE	Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
7WDD	Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
8D39	The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid 分子名称: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2022-06-01 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.268 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TND	The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid 分子名称: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-20 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.825 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TNF	The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid 分子名称: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-21 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.539 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TNU	The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid 分子名称: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-21 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.584 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TP6	The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid 分子名称: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-25 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.655 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TP5	The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid 分子名称: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-25 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.655 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TQM	The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid 分子名称: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-26 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.438 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022

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