6RQ1
 
 | | CYP121 in complex with 2-methyl dicyclotyrosine | | 分子名称: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | | 著者 | Poddar, H, Levy, C. | | 登録日 | 2019-05-15 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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6RQ0
 | | CYP121 in complex with 3-methyl dicyclotyrosine | | 分子名称: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | | 著者 | Poddar, H, Levy, C. | | 登録日 | 2019-05-15 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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6RO8
 | | The crystal structure of Acinetobacter radioresistens CYP116B5 heme domain | | 分子名称: | Cytochrome P450 RhF, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Ciaramella, A, Catucci, G, Gilardi, G, Di Nardo, G. | | 登録日 | 2019-05-10 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of bacterial CYP116B5 heme domain: New insights on class VII P450s structural flexibility and peroxygenase activity.
Int.J.Biol.Macromol., 140, 2019
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6Q2T
 | | Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Lanosterol 14-alpha demethylase, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, ... | | 著者 | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | 登録日 | 2019-08-08 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Validation of Human Sterol 14 alpha-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.
J.Med.Chem., 62, 2019
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6Q2C
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6PRS
 | | The crystal structure of 3-ethoxybenzoate-bound CYP199A4 | | 分子名称: | 3-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | 登録日 | 2019-07-11 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.373 Å) | | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PRR
 | | The crystal structure of 3-methylaminobenzoate-bound CYP199A4 | | 分子名称: | 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | 登録日 | 2019-07-11 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQW
 | | The crystal structure of 3-methylbenzoate-bound CYP199A4 | | 分子名称: | 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | 登録日 | 2019-07-10 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQS
 | | The crystal structure of 4-methylbenzoate-bound CYP199A4 | | 分子名称: | 4-METHYLBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | 登録日 | 2019-07-10 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQD
 | | The crystal structure of 3-methylthiobenzoate-bound CYP199A4 | | 分子名称: | 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | 登録日 | 2019-07-09 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PQ6
 | | The crystal structure of 3-methoxybenzoate-bound CYP199A4 | | 分子名称: | 3-methoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Podgorski, M.N, Bell, S.G, Bruning, J.B. | | 登録日 | 2019-07-08 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.658 Å) | | 主引用文献 | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6OOX
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6OOW
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6OOB
 | | Human CYP3A4 bound to a suicide substrate | | 分子名称: | 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 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 (2.202 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
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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
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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
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6O5Y
 | | Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | | 分子名称: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, Cytochrome P450 1A1, NITRATE ION, ... | | 著者 | Bart, A.G, Scott, E.E. | | 登録日 | 2019-03-04 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | | 主引用文献 | Human Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Drug Metab.Dispos., 48, 2020
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6NBL
 | | Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide | | 分子名称: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ... | | 著者 | Follmer, A.H, Tripathi, S.M, Poulos, T.L. | | 登録日 | 2018-12-07 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
J. Am. Chem. Soc., 141, 2019
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6N6Q
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6MJM
 | | Substrate Free Cytochrome P450 3A5 (CYP3A5) | | 分子名称: | Cytochrome P450 3A5, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2018-09-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Active-site differences between substrate-free and ritonavir-bound cytochrome P450 (CYP) 3A5 reveal plasticity differences between CYP3A5 and CYP3A4.
J.Biol.Chem., 294, 2019
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6MI0
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state | | 分子名称: | Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | 登録日 | 2018-09-18 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
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6MCW
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114 | | 分子名称: | 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | 登録日 | 2018-09-02 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
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6MA8
 | | Human CYP3A4 bound to PMSF | | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, DIMETHYL SULFOXIDE, ... | | 著者 | Sevrioukova, I.F. | | 登録日 | 2018-08-26 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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6MA7
 | | Human CYP3A4 bound to an inhibitor fluconazole | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ... | | 著者 | Sevrioukova, I.F. | | 登録日 | 2018-08-26 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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6MA6
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