4UQH
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![BU of 4uqh by Molmil](/molmil-images/mine/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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5O4L
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![BU of 5o4l by Molmil](/molmil-images/mine/5o4l) | Crystal structure of P450 CYP121 in complex with compound 6a. | 分子名称: | 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Levy, C.W. | 登録日 | 2017-05-29 | 公開日 | 2018-03-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.64 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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7PQ1
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![BU of 7pq1 by Molmil](/molmil-images/mine/7pq1) | Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1 | 分子名称: | Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | 登録日 | 2021-09-15 | 公開日 | 2022-09-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine To Be Published
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5OFQ
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![BU of 5ofq by Molmil](/molmil-images/mine/5ofq) | |
5OG9
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![BU of 5og9 by Molmil](/molmil-images/mine/5og9) | |
7Q89
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![BU of 7q89 by Molmil](/molmil-images/mine/7q89) | OleP mutant G92W in complex with 6DEB | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | 著者 | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | 登録日 | 2021-11-10 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
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7Q6X
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![BU of 7q6x by Molmil](/molmil-images/mine/7q6x) | OleP mutant S240Y in complex with 6DEB | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | 著者 | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | 登録日 | 2021-11-09 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
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5O4K
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![BU of 5o4k by Molmil](/molmil-images/mine/5o4k) | Crystal structure of P450 CYP121 in complex with compound 6b. | 分子名称: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Levy, C.W. | 登録日 | 2017-05-29 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 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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7Q6R
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![BU of 7q6r by Molmil](/molmil-images/mine/7q6r) | OleP mutant E89Y in complex with 6DEB | 分子名称: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | 著者 | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | 登録日 | 2021-11-09 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics. Biomolecules, 12, 2021
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7Q9E
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![BU of 7q9e by Molmil](/molmil-images/mine/7q9e) | CYP106A1 | 分子名称: | COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | 著者 | Carius, Y, Hutter, M, Kiss, F, Bernhardt, R, Lancaster, C.R.D. | 登録日 | 2021-11-12 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion. Febs Lett., 596, 2022
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5OMU
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![BU of 5omu by Molmil](/molmil-images/mine/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 | 2024-06-19 | 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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5OP9
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![BU of 5op9 by Molmil](/molmil-images/mine/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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5OPA
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![BU of 5opa by Molmil](/molmil-images/mine/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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5OMR
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![BU of 5omr by Molmil](/molmil-images/mine/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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8CPP
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![BU of 8cpp by Molmil](/molmil-images/mine/8cpp) | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | 分子名称: | CYTOCHROME P450CAM, PROTOPORPHYRIN IX CONTAINING FE, THIOCAMPHOR | 著者 | Raag, R, Poulos, T.L. | 登録日 | 1990-05-18 | 公開日 | 1991-07-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation. Biochemistry, 30, 1991
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8C9I
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8CKN
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8DL4
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![BU of 8dl4 by Molmil](/molmil-images/mine/8dl4) | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR | 分子名称: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | 著者 | Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | 登録日 | 2022-07-06 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR To Be Published
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8D39
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8D1C
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![BU of 8d1c by Molmil](/molmil-images/mine/8d1c) | Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid | 分子名称: | 4-(trifluoromethoxy)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | 著者 | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | 登録日 | 2022-05-27 | 公開日 | 2023-03-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light. Chemistry, 28, 2022
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8D8P
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8DYC
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![BU of 8dyc by Molmil](/molmil-images/mine/8dyc) | Human CYP3A4 bound to a substrate | 分子名称: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ... | 著者 | Sevrioukova, I.F. | 登録日 | 2022-08-04 | 公開日 | 2022-10-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site. Int J Mol Sci, 23, 2022
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6DAA
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![BU of 6daa by Molmil](/molmil-images/mine/6daa) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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6DAJ
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![BU of 6daj by Molmil](/molmil-images/mine/6daj) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ... | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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6DAB
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![BU of 6dab by Molmil](/molmil-images/mine/6dab) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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