PDB: 1731 件ウェブページステータス検索Chemie searchBIRD

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6XZ9	Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one 分子名称: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... 著者 Kuglstatter, A, Joseph, C, Benz, J. 登録日 2020-02-03 公開日 2020-06-24 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
7CX6	Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine 分子名称: (1R)-1-phenylethanamine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-09-01 公開日 2021-09-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine at 1.69 Angstrom Resolution To Be Published
7CX8	Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine 分子名称: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-09-01 公開日 2021-09-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution To Be Published
7CKN	Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine 分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-07-17 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine at 1.55 Angstrom Resolution To Be Published
7COO	Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine 分子名称: (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CYCLOHEXYLAMMONIUM ION, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-04 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine at 1.49 Angstrom Resolution To Be Published
7CON	Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine 分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, 3-AMINOPROPANE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-04 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-{2-[4-(trifluoromethoxy)phenoxy]}acetoyl-L-phenylalanine in complex with n-propylamine at 1.46 Angstrom Resolution To Be Published
7CP8	Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine 分子名称: (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-06 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine at 1.68 Angstrom Resolution To Be Published
7CZI	Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine 分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-09-08 公開日 2021-09-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine at 1.64 Angstrom Resolution To Be Published
7D0T	Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine 分子名称: (1~{S})-2,3-dihydro-1~{H}-inden-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-09-11 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine at 1.74 Angstrom Resolution To Be Published
7D0U	Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine 分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ETHANAMINE, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-09-11 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine at 1.68 Angstrom Resolution To Be Published
7D1F	Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine 分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-09-14 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine at 1.45 Angstrom Resolution To Be Published
6L8J	Crystal structure of CYP97A3 mutant S290D/W300L/S304V in complex with retinal 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic, ... 著者 Niu, G, Guo, Q, Liu, L. 登録日 2019-11-06 公開日 2020-06-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.399 Å) 主引用文献 Structural basis for plant lutein biosynthesis from alpha-carotene. Proc.Natl.Acad.Sci.USA, 117, 2020
3ZG2	Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO) 分子名称: (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. 登録日 2012-12-14 公開日 2013-09-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
3ZG3	STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD) 分子名称: N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. 登録日 2012-12-14 公開日 2013-09-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity J.Biol.Chem., 288, 2013
7E46	Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-(-)-1-Phenylethylamine 分子名称: (1S)-1-phenylethanamine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2021-02-10 公開日 2022-02-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-(-)-1-Phenylethylamine at 1.91 Angstrom Resolution To Be Published
4WPD	X-ray Crystal Structure of CYP119 complexed with 4-(4-flourophenyl)-1H-imidazole 分子名称: 4-(4-fluorophenyl)-1H-imidazole, Cytochrome P450 119, PROTOPORPHYRIN IX CONTAINING FE 著者 Madrona, Y. 登録日 2014-10-17 公開日 2015-02-18 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 TWO DIMENTIONAL NMR AND X-RAY ANALYSIS OF CYP119 LIGAND DEPENDENT CONFORMATIONAL DYNAMICS To Be Published
7YXF	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-02-16 公開日 2023-03-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
6UEZ	Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol 分子名称: LANOSTEROL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2019-09-23 公開日 2020-06-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 A requirement for an active proton delivery network supports a compound I-mediated C-C bond cleavage in CYP51 catalysis. J.Biol.Chem., 295, 2020
7R1I	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-02-03 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7R3U	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Katariya, M, Leys, D, Levy, C. 登録日 2022-02-07 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
6Q2T	Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide 分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Lanosterol 14-alpha demethylase, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, ... 著者 Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2019-08-08 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Validation of Human Sterol 14 alpha-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors. J.Med.Chem., 62, 2019
4WQJ	Crystal Structure of CYP119 from Sulfolobus acidocaldarius, Collected at 298K and Complexed with 4-(4-bromophenyl)-1H imidazole 分子名称: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ... 著者 Madrona, Y. 登録日 2014-10-22 公開日 2015-02-18 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 TWO DIMENSIONAL NMR AND X-RAY ANALYSIS OF CYP119 LIGAND-DEPENDENT CONFORMATIONAL DYNAMICS. To Be Published
7CVR	Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine 分子名称: (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-26 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution To Be Published
7P6L	Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. 登録日 2021-07-16 公開日 2022-02-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity Catalysis Science And Technology, 11, 2021
4TX3	Complex of the X-domain and OxyB from Teicoplanin Biosynthesis 分子名称: 1,2-ETHANEDIOL, OxyB protein, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Peschke, M, Haslinger, K, Cryle, M.J. 登録日 2014-07-02 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 X-domain of peptide synthetases recruits oxygenases crucial for glycopeptide biosynthesis. Nature, 521, 2015

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