6DWM
| Structure of Human Cytochrome P450 1A1 with Bergamottin | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ... | 著者 | Bart, A.G, Scott, E.E. | 登録日 | 2018-06-26 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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6DWN
| Structure of Human Cytochrome P450 1A1 with Erlotinib | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Bart, A.G, Scott, E.E. | 登録日 | 2018-06-26 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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4MIK
| Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine, Phenylethanolamine N-methyltransferase | 著者 | Bart, A.G, Scott, E.E. | 登録日 | 2013-08-31 | 公開日 | 2014-09-10 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9506 Å) | 主引用文献 | To be published To be Published
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4MQ4
| Crystal Structure of hPNMT in Complex with bisubstrate inhibitor N-(3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)propyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine, Phenylethanolamine N-methyltransferase | 著者 | Bart, A.G, Scott, E.E. | 登録日 | 2013-09-15 | 公開日 | 2014-10-15 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2042 Å) | 主引用文献 | To be Published To be Published
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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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6OYV
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6OYU
| Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone | 分子名称: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ... | 著者 | Bart, A.G, Harris, K.L, Scott, E.E. | 登録日 | 2019-05-15 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability. J.Biol.Chem., 295, 2020
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6UDL
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6UDM
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6WR1
| Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | 分子名称: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-04-29 | 公開日 | 2021-05-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WR0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | 分子名称: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-04-29 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WW0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | 分子名称: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-05-07 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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5UYS
| Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | 分子名称: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | Scott, E.E, Petrunak, E.M. | 登録日 | 2017-02-24 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.392 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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3T3S
| Human Cytochrome P450 2A13 in complex with Pilocarpine | 分子名称: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE | 著者 | DeVore, N.M, Scott, E.E. | 登録日 | 2011-07-25 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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3T3R
| Human Cytochrome P450 2A6 in complex with Pilocarpine | 分子名称: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | 著者 | DeVore, N.M, Scott, E.E. | 登録日 | 2011-07-25 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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3T3Z
| Human Cytochrome P450 2E1 in complex with pilocarpine | 分子名称: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Meneely, K.M, DeVore, N.M, Scott, E.E. | 登録日 | 2011-07-25 | 公開日 | 2011-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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3T3Q
| Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | 分子名称: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | 著者 | DeVore, N.M, Scott, E.E. | 登録日 | 2011-07-25 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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