PDB: 1373 件ウェブページステータス検索Chemie searchBIRD

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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
7JW5	Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid 分子名称: CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Lee, J.H.Z, Bruning, J.B, Bell, S.G. 登録日 2020-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.526 Å) 主引用文献 Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation Acs Catalysis, 12, 2022
7RYX	S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129 分子名称: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-26 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host. J Fungi, 8, 2022
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
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
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
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
7RL2	Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan 分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... 著者 Shah, M.B. 登録日 2021-07-23 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison. Int J Mol Sci, 22, 2021
7AYX	Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998 分子名称: Cytochrome P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Schneider, S, Schaefers, F, Gulder, T.A.M. 登録日 2020-11-13 公開日 2021-10-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 AryC. Chemistry, 28, 2022
7LAD	Clobetasol propionate bound to CYP3A5 分子名称: Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE 著者 Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. 登録日 2021-01-06 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J.Am.Chem.Soc., 143, 2021
7RTQ	Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide 分子名称: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 著者 Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z. 登録日 2021-08-13 公開日 2021-11-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition. J.Med.Chem., 64, 2021
7LES	Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex 分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, IMIDAZOLE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-01-15 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Homodimerization Counteracts the Detrimental Effect of Nitrogenous Heme Ligands on the Enzymatic Activity of Acanthamoeba castellanii CYP51. Biochemistry, 61, 2022
7E7F	Human CYP11B1 mutant in complex with metyrapone 分子名称: CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ... 著者 Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N. 登録日 2021-02-26 公開日 2022-01-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis. Curr Res Struct Biol, 3, 2021
7Q89	OleP mutant G92W in complex with 6DEB 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... 著者 Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. 登録日 2021-11-10 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
7Q6X	OleP mutant S240Y in complex with 6DEB 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... 著者 Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. 登録日 2021-11-09 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
7Q6R	OleP mutant E89Y in complex with 6DEB 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... 著者 Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. 登録日 2021-11-09 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
7N14	Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 分子名称: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2021-05-26 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.537 Å) 主引用文献 To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
7NQM	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
7NQN	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022

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