PDB: 1366 件ウェブページステータス検索Chemie searchBIRD

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2A1M	Crystal structure of ferrous dioxygen complex of wild-type cytochrome P450cam 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ... 著者 Nagano, S, Poulos, T.L. 登録日 2005-06-20 公開日 2005-07-05 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism J.Biol.Chem., 280, 2005
7QKE	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate 著者 Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. 登録日 2021-12-17 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7QNN	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate 著者 Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. 登録日 2021-12-21 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7QJL	Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Levy, C, Katariya, M. 登録日 2021-12-16 公開日 2022-12-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7QQ7	Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG 分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ... 著者 Snee, M, Levy, C, Kavanagh, M. 登録日 2022-01-06 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG To Be Published
7QWN	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-01-25 公開日 2023-02-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7R1I	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-02-03 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7R3U	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Katariya, M, Leys, D, Levy, C. 登録日 2022-02-07 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7RYA	S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH 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 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
7RY9	S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ... 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
7RYB	S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
7RY8	S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole 分子名称: Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. 登録日 2021-08-24 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
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
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
7RKW	Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate 分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-07-22 公開日 2022-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
7RKR	Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate 分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-07-22 公開日 2022-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
7RKT	Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate 分子名称: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-07-22 公開日 2022-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
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
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
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
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 2019-02-27 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
2BVJ	Ligand-free structure of cytochrome P450 PikC (CYP107L1) 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... 著者 Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. 登録日 2005-06-28 公開日 2006-07-03 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
2BDM	Structure of Cytochrome P450 2B4 with Bound Bifonazole 分子名称: 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... 著者 Zhao, Y, White, M.A, Muralidhara, B.K, Sun, L, Halpert, J.R, Stout, C.D. 登録日 2005-10-20 公開日 2005-12-27 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction. J.Biol.Chem., 281, 2006
5NCB	Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. 分子名称: Cytochrome P450, Guaiacol, 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 2017-03-03 公開日 2018-07-04 最終更新日 2022-03-30 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
2BZ9	Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group 分子名称: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE 著者 Yermalitskaya, L.V, Waterman, M.R, Podust, L.M. 登録日 2005-08-12 公開日 2006-12-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007

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