4L2O
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![BU of 4l2o by Molmil](/molmil-images/mine/4l2o) | |
4KYT
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![BU of 4kyt by Molmil](/molmil-images/mine/4kyt) | The structure of superinhibitory phospholamban bound to the calcium pump SERCA1a | 分子名称: | Cardiac phospholamban, POTASSIUM ION, SERCA1a, ... | 著者 | Hurley, T.D, Akin, B.L, Jones, L.R. | 登録日 | 2013-05-29 | 公開日 | 2013-09-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.833 Å) | 主引用文献 | The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum. J.Biol.Chem., 288, 2013
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4L1O
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![BU of 4l1o by Molmil](/molmil-images/mine/4l1o) | Crystal structure of human ALDH3A1 with inhibitor 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1H-indole-2,3-dione | 分子名称: | (3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one, ACETATE ION, Aldehyde dehydrogenase, ... | 著者 | Hurley, T.D, Parajuli, B. | 登録日 | 2013-06-03 | 公開日 | 2014-04-16 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J.Med.Chem., 57, 2014
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1HTB
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![BU of 1htb by Molmil](/molmil-images/mine/1htb) | |
1AGN
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![BU of 1agn by Molmil](/molmil-images/mine/1agn) | X-RAY STRUCTURE OF HUMAN SIGMA ALCOHOL DEHYDROGENASE | 分子名称: | ACETATE ION, HUMAN SIGMA ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Hurley, T.D, Xie, P. | 登録日 | 1996-06-04 | 公開日 | 1997-03-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | X-ray structure of human class IV sigmasigma alcohol dehydrogenase. Structural basis for substrate specificity. J.Biol.Chem., 272, 1997
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7JWW
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![BU of 7jww by Molmil](/molmil-images/mine/7jww) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWV
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![BU of 7jwv by Molmil](/molmil-images/mine/7jwv) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWU
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![BU of 7jwu by Molmil](/molmil-images/mine/7jwu) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWT
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![BU of 7jwt by Molmil](/molmil-images/mine/7jwt) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWS
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![BU of 7jws by Molmil](/molmil-images/mine/7jws) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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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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6U77
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![BU of 6u77 by Molmil](/molmil-images/mine/6u77) | yGsy2p in complex with small molecule | 分子名称: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol, 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2 | 著者 | Tang, B, Hurley, T.D. | 登録日 | 2019-08-31 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase. J.Med.Chem., 63, 2020
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3SZ9
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![BU of 3sz9 by Molmil](/molmil-images/mine/3sz9) | |
4WB9
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![BU of 4wb9 by Molmil](/molmil-images/mine/4wb9) | Human ALDH1A1 complexed with NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Morgan, C.A, Hurley, T.D. | 登録日 | 2014-09-02 | 公開日 | 2014-12-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1. Chem.Biol.Interact., 234, 2015
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4X4L
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![BU of 4x4l by Molmil](/molmil-images/mine/4x4l) | Structure of human ALDH1A1 with inhibitor CM037 | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Morgan, C.A, Hurley, T.D. | 登録日 | 2014-12-03 | 公開日 | 2015-02-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
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4WP7
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![BU of 4wp7 by Molmil](/molmil-images/mine/4wp7) | Structure of human ALDH1A1 with inhibitor CM026 | 分子名称: | 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Morgan, C.A, Hurley, T.D. | 登録日 | 2014-10-17 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
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4WJ9
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![BU of 4wj9 by Molmil](/molmil-images/mine/4wj9) | Structure of Human apo ALDH1A1 | 分子名称: | CHLORIDE ION, Retinal dehydrogenase 1, YTTERBIUM (III) ION | 著者 | Morgan, C.A, Hurley, T.D. | 登録日 | 2014-09-29 | 公開日 | 2014-12-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1. Chem.Biol.Interact., 234, 2015
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4WPN
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![BU of 4wpn by Molmil](/molmil-images/mine/4wpn) | Structure of human ALDH1A1 with inhibitor CM053 | 分子名称: | 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Morgan, C.A, Hurley, T.D. | 登録日 | 2014-10-20 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
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3INL
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![BU of 3inl by Molmil](/molmil-images/mine/3inl) | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1 | 分子名称: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ... | 著者 | Perez-Miller, S, Hurley, T.D. | 登録日 | 2009-08-12 | 公開日 | 2010-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.862 Å) | 主引用文献 | Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant. Nat.Struct.Mol.Biol., 17, 2010
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3INJ
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![BU of 3inj by Molmil](/molmil-images/mine/3inj) | |
3N83
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![BU of 3n83 by Molmil](/molmil-images/mine/3n83) | |
3N80
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![BU of 3n80 by Molmil](/molmil-images/mine/3n80) | |
3N82
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![BU of 3n82 by Molmil](/molmil-images/mine/3n82) | |
3N81
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![BU of 3n81 by Molmil](/molmil-images/mine/3n81) | |
1TEH
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![BU of 1teh by Molmil](/molmil-images/mine/1teh) | |