PDB: 1367 件ウェブページステータス検索Chemie searchBIRD

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6PRR	The crystal structure of 3-methylaminobenzoate-bound CYP199A4 分子名称: 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-11 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
6PQ6	The crystal structure of 3-methoxybenzoate-bound CYP199A4 分子名称: 3-methoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G, Bruning, J.B. 登録日 2019-07-08 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.658 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
6PQS	The crystal structure of 4-methylbenzoate-bound CYP199A4 分子名称: 4-METHYLBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-10 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
6PRS	The crystal structure of 3-ethoxybenzoate-bound CYP199A4 分子名称: 3-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-11 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.373 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
1W0G	Crystal structure of human cytochrome P450 3A4 分子名称: CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE 著者 Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. 登録日 2004-06-03 公開日 2004-07-22 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science, 305, 2004
6PQD	The crystal structure of 3-methylthiobenzoate-bound CYP199A4 分子名称: 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-09 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
6PQW	The crystal structure of 3-methylbenzoate-bound CYP199A4 分子名称: 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-07-10 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.679 Å) 主引用文献 Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
1W0F	Crystal structure of human cytochrome P450 3A4 分子名称: CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE 著者 Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. 登録日 2004-06-03 公開日 2004-07-22 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone Science, 305, 2004
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
7DVO	Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL 分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... 著者 Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y. 登録日 2021-01-14 公開日 2021-05-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
1WIY	Crystal Structure Analysis of a 6-coordinated Cytochorome P450 from Thermus thermophilus HB8 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Kousumi, Y, Nakagawa, N, Kaneko, M, Yamamoto, H, Masui, R, Kuramitsu, S, Ueyama, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2004-05-28 公開日 2004-11-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure Analysis of Cytochrome P450 from Thermus thermophilus HB8 To be Published
7EGN	Crystal structure of the P450 BM3 heme domain mutant F87A 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, GLYCEROL, ... 著者 Jiang, Y, Dong, S, Feng, Y, Cong, Z. 登録日 2021-03-24 公開日 2021-08-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450 Acs Catalysis, 11, 2021
6Q2C	Domain-swapped dimer of Acanthamoeba castellanii CYP51 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Obtusifoliol 14alphademethylase, ... 著者 Sharma, V, Podust, L.M. 登録日 2019-08-07 公開日 2020-10-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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
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
7F3H	Crystal structure of cytochrome P450DA heme domain 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ... 著者 Wan, N.W. 登録日 2021-06-16 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation Catalysis Science And Technology, 12, 2022
1X8V	Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51) 分子名称: Cytochrome P450 51, ESTRIOL, PROTOPORPHYRIN IX CONTAINING FE 著者 Podust, L.M, Yermalitskaya, L.V, Lepesheva, G.I, Podust, V.N, Dalmasso, E.A, Waterman, M.R. 登録日 2004-08-18 公開日 2004-11-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Estriol Bound and Ligand-free Structures of Sterol 14alpha-Demethylase. Structure, 12, 2004
1XQD	Crystal structure of P450NOR complexed with 3-pyridinealdehyde adenine dinucleotide 分子名称: CYTOCHROME P450 55A1, NICOTINIC ACID ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE 著者 Oshima, R, Fushinobu, S, Takaya, N, Su, F, Wakagi, T, Shoun, H. 登録日 2004-10-12 公開日 2004-10-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural evidence for direct hydride transfer from NADH to cytochrome P450nor J.Mol.Biol., 342, 2004
6RQ5	CYP121 in complex with 3,5-dimethyl dicyclotyrosine 分子名称: (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
6RQ3	CYP121 in complex with 2,6-dimethyl dicyclotyrosine 分子名称: (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
6RQE	CYP121 in complex with 3-acetylene dicyclotyrosine 分子名称: 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
6RQ8	CYP121 in complex with 3-iodo dicyclotyrosine 分子名称: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
6RQ0	CYP121 in complex with 3-methyl dicyclotyrosine 分子名称: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
6RQD	CYP121 in complex with 3-chloro dicyclotyrosine 分子名称: (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.499 Å) 主引用文献 Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
6RO8	The crystal structure of Acinetobacter radioresistens CYP116B5 heme domain 分子名称: Cytochrome P450 RhF, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Ciaramella, A, Catucci, G, Gilardi, G, Di Nardo, G. 登録日 2019-05-10 公開日 2019-08-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of bacterial CYP116B5 heme domain: New insights on class VII P450s structural flexibility and peroxygenase activity. Int.J.Biol.Macromol., 140, 2019

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