6DUM
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![BU of 6dum by Molmil](/molmil-images/mine/6dum) | ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | 著者 | Buchman, C.D, Hurley, T.D. | 登録日 | 2018-06-21 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
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7LAD
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![BU of 7lad by Molmil](/molmil-images/mine/7lad) | Clobetasol propionate bound to CYP3A5 | 分子名称: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | 登録日 | 2021-01-06 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J.Am.Chem.Soc., 143, 2021
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5L2O
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![BU of 5l2o by Molmil](/molmil-images/mine/5l2o) | |
5L2N
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![BU of 5l2n by Molmil](/molmil-images/mine/5l2n) | Structure of ALDH1A1 in complex with BUC25 | 分子名称: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Buchman, C.D, Hurley, T.D. | 登録日 | 2016-08-02 | 公開日 | 2017-03-08 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
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5L2M
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![BU of 5l2m by Molmil](/molmil-images/mine/5l2m) | Structure of ALDH1A1 in complex with BUC11 | 分子名称: | 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Buchman, C.D, Hurley, T.D. | 登録日 | 2016-08-02 | 公開日 | 2017-03-08 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
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5L13
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![BU of 5l13 by Molmil](/molmil-images/mine/5l13) | Structure of ALDH2 in complex with 2P3 | 分子名称: | 1,2-ETHANEDIOL, 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one, Aldehyde dehydrogenase, ... | 著者 | Buchman, C.D, Hurley, T.D. | 登録日 | 2016-07-28 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
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