5OG9
 
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5OP9
 | | The crystal structure of P450 CYP121 in complex with lead compound 7e | | 分子名称: | 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Levy, C.W. | | 登録日 | 2017-08-09 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.455 Å) | | 主引用文献 | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
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5OMU
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol | | 分子名称: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2017-08-01 | | 公開日 | 2018-07-04 | | 最終更新日 | 2022-03-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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5OPA
 | | The crystal structure of P450 CYP121 in complex with lead compound 7b | | 分子名称: | 3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole, DI(HYDROXYETHYL)ETHER, Mycocyclosin synthase, ... | | 著者 | Levy, C.W. | | 登録日 | 2017-08-09 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.345 Å) | | 主引用文献 | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
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5OMS
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | | 分子名称: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2017-08-01 | | 公開日 | 2018-07-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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5OMR
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin. | | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, GcoA, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2017-08-01 | | 公開日 | 2018-07-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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4UYM
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4UQH
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | | 分子名称: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | | 著者 | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | | 登録日 | 2014-06-23 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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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
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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
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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
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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
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4WQ0
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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
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4WPD
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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
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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
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4WQJ
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4XE3
 | | OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in Oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole. | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Montemiglio, L.C, Parisi, G, Scaglione, A, Savino, C, Vallone, B. | | 登録日 | 2014-12-22 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Functional analysis and crystallographic structure of clotrimazole bound OleP, a cytochrome P450 epoxidase from Streptomyces antibioticus involved in oleandomycin biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
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4XRY
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Johnson, E.F, Fan, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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4XRZ
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... | | 著者 | Johnson, E.F, Fan, Y. | | 登録日 | 2015-01-21 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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4Y8W
 | | Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex | | 分子名称: | Cytochrome P450 21-hydroxylase, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Pallan, P.S, Lei, L, Egli, M. | | 登録日 | 2015-02-16 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYMEPROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE.
J.Biol.Chem., 290, 2015
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4YT3
 | | CYP106A2 | | 分子名称: | ACETATE ION, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE | | 著者 | janocha, S, carius, y, bernhardt, r, lancaster, c.r.d. | | 登録日 | 2015-03-17 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form.
Chembiochem, 17, 2016
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8A8L
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment | | 分子名称: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... | | 著者 | Snee, M, Katariya, M, Levy, C. | | 登録日 | 2022-06-23 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
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8A6W
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