PDB: 1376 件ウェブページステータス検索Chemie searchBIRD

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8DYB	The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid 分子名称: 4-methylsulfanylbenzoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Coleman, T, Bell, S.G. 登録日 2022-08-03 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
6OOA	Human CYP3A4 bound to a drug substrate 分子名称: (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A4, GLYCEROL, ... 著者 Sevrioukova, I.F. 登録日 2019-04-22 公開日 2019-09-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin. Int J Mol Sci, 20, 2019
6OOX	The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4 分子名称: 4-propan-2-ylbenzoic 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 (1.774 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
8DSG	P411-PFA carbene transferase 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ... 著者 Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H. 登録日 2022-07-22 公開日 2023-03-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases. Nat Catal, 6, 2023
6OO9	Human CYP3A4 bound to a drug mibefradil 分子名称: (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-ETHANEDIOL, Cytochrome P450 3A4, ... 著者 Sevrioukova, I.F. 登録日 2019-04-22 公開日 2019-09-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin. Int J Mol Sci, 20, 2019
4UYM	Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole 分子名称: 14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2014-09-02 公開日 2015-08-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs J.Biol.Chem., 290, 2015
5MNS	Structural and functional characterization of OleP in complex with 6DEB in sodium formate 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE 著者 Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Substrate-induced conformational change in cytochrome P450 OleP. FASEB J., 33, 2019
8VX0	CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN 分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... 著者 Shah, M.B. 登録日 2024-02-02 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024
8VZ7	Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug Losartan 分子名称: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Shah, M.B. 登録日 2024-02-11 公開日 2024-06-12 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan. J.Inorg.Biochem., 258, 2024
5MNV	Structural and functional characterization of OleP in complex with 6DEB in PEG 分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE 著者 Parisi, G, Savino, C, Montemiglio, L.C. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Substrate-induced conformational change in cytochrome P450 OleP. FASEB J., 33, 2019
4WPZ	Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis 分子名称: Cytochrome P450, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE 著者 Kang, L.W, Kim, D.H, Pham, T.V, Han, S.H. 登録日 2014-10-21 公開日 2015-04-22 最終更新日 2015-04-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Functional characterization of CYP107W1 from Streptomyces avermitilis and biosynthesis of macrolide oligomycin A. Arch.Biochem.Biophys., 575, 2015
4WNT	Human Cytochrome P450 2D6 Ajmalicine Complex 分子名称: Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Wang, A, Stout, C.D, Johnson, E.F. 登録日 2014-10-14 公開日 2015-01-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
4WG2	P411BM3-CIS T438S I263F regioselective C-H amination catalyst 分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Hyster, T.K, Farwell, C.C, Buller, A.R, McIntosh, J.A, Arnold, F.H. 登録日 2014-09-17 公開日 2014-11-05 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-h amination. J.Am.Chem.Soc., 136, 2014
6WFL	Camphor soaked P450cam D251E 分子名称: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... 著者 Amaya, J.A, Poulos, T.L, Batabyal, D. 登録日 2020-04-03 公開日 2020-07-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
6WGW	CYP101D1 D259E Hydroxycamphor bound 分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ... 著者 Amaya, J.A, Poulos, T.L, Batabyal, D. 登録日 2020-04-06 公開日 2020-07-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
4WNW	Human Cytochrome P450 2D6 Thioridazine Complex 分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... 著者 Wang, A, Stout, C.D, Johnson, E.F. 登録日 2014-10-14 公開日 2015-01-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.299 Å) 主引用文献 Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
4WQ0	Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis in complex with Oligomycin A 分子名称: Cytochrome P450, Oligomycin A, PROTOPORPHYRIN IX CONTAINING FE 著者 Kang, L.W, Kim, D.H, Pham, T.V, Han, S.H. 登録日 2014-10-21 公開日 2015-10-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis in complex with Oligomycin A To Be Published
6WPL	Structure of Cytochrome P450tcu 分子名称: 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ... 著者 Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L. 登録日 2020-04-27 公開日 2020-07-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.097 Å) 主引用文献 Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases. Biochemistry, 59, 2020
4WNV	Human Cytochrome P450 2D6 Quinine Complex 分子名称: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Wang, A, Stout, C.D, Johnson, E.F. 登録日 2014-10-14 公開日 2015-01-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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
4WMZ	S. cerevisiae CYP51 complexed with fluconazole in the active site 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Wilbanks, S.M, Monk, B.C, Tyndall, J.D.A. 登録日 2014-10-09 公開日 2015-07-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 59, 2015
8X1W	CYP725A4 apo structure 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase 著者 Chang, Z, Wang, Q. 登録日 2023-11-09 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses. Acs Catalysis, 14, 2024
8X3E	CYP725A4-Taxa-4,11-diene complex 分子名称: (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene, PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase 著者 Chang, Z, Wang, Q. 登録日 2023-11-13 公開日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses. Acs Catalysis, 14, 2024
4WNU	Human Cytochrome P450 2D6 Quinidine Complex 分子名称: Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Wang, A, Stout, C.D, Johnson, E.F. 登録日 2014-10-14 公開日 2015-01-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
8W7G	Crystal structure of cytochrome P450 CYP161H12 from Amycolatopsis pretoriensis 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase 著者 Dong, L.B, Zhang, X.W, Pan, X.M, Li, F.R. 登録日 2023-08-30 公開日 2024-09-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Explore the chemical space of Pentacyclic Triterpenoids: Mining Bacterial CYP450s for Aliphatic C-H Activation To Be Published

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