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

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5EQB	Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) 登録日 2015-11-12 公開日 2016-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer. Proc.Natl.Acad.Sci.USA, 111, 2014
5DYP	Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Di Nardo, G, Dell'Angelo, V, Gilardi, G. 登録日 2015-09-25 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen. Arch.Biochem.Biophys., 602, 2016
5DYZ	Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine 分子名称: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Di Nardo, G, Dell'Angelo, V, Gilardi, G. 登録日 2015-09-25 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.967 Å) 主引用文献 Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen. Arch.Biochem.Biophys., 602, 2016
5JTD	Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO. 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Kloos, M. 登録日 2016-05-09 公開日 2016-10-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies. Biochim.Biophys.Acta, 1864, 2016
8SPC	Crystal structure of the cytochrome P450 enzyme RufO 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ... 著者 Dratch, B.D, Davis, K.M. 登録日 2023-05-02 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.871 Å) 主引用文献 Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO. Acs Chem.Biol., 18, 2023
6VZB	Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state 分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... 著者 Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. 登録日 2020-02-28 公開日 2020-11-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
6VZA	Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state 分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ... 著者 Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. 登録日 2020-02-28 公開日 2020-11-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
6VXV	Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. 登録日 2020-02-24 公開日 2020-11-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
6W0S	Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 分子名称: BROMIDE ION, CHLORIDE ION, GLYCEROL, ... 著者 Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. 登録日 2020-03-02 公開日 2020-11-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
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
8Q6Z	Crystal structure of Cytochrome P450 GymB1 from Streptomyces flavidovirens 分子名称: GLYCEROL, GymB1, PROTOPORPHYRIN IX CONTAINING FE 著者 Freytag, J, Kelm, T, Stehle, T, Zocher, G. 登録日 2023-08-15 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity Chemcatchem, 16, 2024
6OOW	The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4 分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2019-04-23 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes To Be Published
4ZV8	Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2015-05-18 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
7REH	Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid 分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2021-07-12 公開日 2022-02-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.545 Å) 主引用文献 An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity Acs Catalysis, 2022
3HF2	Crystal structure of the I401P mutant of cytochrome P450 BM3 分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z. 登録日 2009-05-10 公開日 2009-06-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1) Chembiochem, 10, 2009
8VL0	The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid 分子名称: 4-(2-oxopropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2024-01-11 公開日 2024-05-08 最終更新日 2024-07-31 実験手法 X-RAY DIFFRACTION (1.837 Å) 主引用文献 Selective alpha-Hydroxyketone Formation and Subsequent C-C Bond Cleavage by Cytochrome P450 Monooxygenase Enzymes Acs Catalysis, 14, 2024
8VFP	The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid 分子名称: 4-METHYLBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-12-21 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region Acs Catalysis, 2024
8VF3	The crystal structure of GALQE CYP199A4 bound to 4-methoxybenzoic acid 分子名称: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-12-21 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.469 Å) 主引用文献 Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region Acs Catalysis, 2024
8VF0	The crystal structure of QE CYP199A4 bound to 4-methoxybenzoic acid 分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450 enzyme (CYP199A4), ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-12-21 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.028 Å) 主引用文献 Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region Acs Catalysis, 2024
8VKF	The crystal structure of wild-type CYP199A4 bound to 4-propionylbenzoic acid 分子名称: 4-propanoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2024-01-09 公開日 2024-05-08 最終更新日 2024-07-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Selective alpha-Hydroxyketone Formation and Subsequent C-C Bond Cleavage by Cytochrome P450 Monooxygenase Enzymes Acs Catalysis, 14, 2024
8VFR	The crystal structure of 4-methylbenzoic acid-bound GALQE CYP199A4 after soaking in 10 mM H2O2 for 5 minutes 分子名称: 4-(hydroxymethyl)benzoic acid, 4-METHYLBENZOIC ACID, CHLORIDE ION, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2023-12-21 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.018 Å) 主引用文献 Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region Acs Catalysis, 2024
6GMF	Structure of Cytochrome P450 CYP109Q5 from Chondromyces apiculatus 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase 著者 Grogan, G, Dubiel, P, Sharma, M, Klenk, J, Hauer, B. 登録日 2018-05-25 公開日 2019-03-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Characterization and structure-guided engineering of the novel versatile terpene monooxygenase CYP109Q5 from Chondromyces apiculatus DSM436. Microb Biotechnol, 12, 2019
7KCS	The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 分子名称: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2020-10-07 公開日 2021-05-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.773 Å) 主引用文献 Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme Acs Catalysis, 11, 2021
3PSX	Crystal structure of the KT2 mutant of cytochrome P450 BM3 分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE 著者 Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z. 登録日 2010-12-02 公開日 2011-12-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant Dalton Trans, 40, 2011
6WZP	The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4 分子名称: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2020-05-14 公開日 2021-05-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme Acs Catalysis, 11, 2021

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