4H80
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1HTB
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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 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of indole-2,3-diones as novel class of inhibitors for ALDH isozymes. To be Published
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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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4KWF
| Crystal Structure Analysis of ALDH2+ALDiB33 | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ... | 著者 | Hurley, T.D, Kimble-Hill, A.C. | 登録日 | 2013-05-24 | 公開日 | 2014-04-09 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.31 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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4KWG
| Crystal Structure Analysis of ALDH2+ALDiB13 | 分子名称: | 1,2-ETHANEDIOL, 7-bromo-5-methyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ... | 著者 | Hurley, T.D, Kimble-Hill, A.C. | 登録日 | 2013-05-24 | 公開日 | 2014-04-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 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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4L2O
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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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5TEI
| Structure of human ALDH1A1 with inhibitor CM039 | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | 著者 | Morgan, C.A, Hurley, T.D. | 登録日 | 2016-09-21 | 公開日 | 2017-09-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of human ALDH1A1 with inhibitor CM039 To Be Published
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5UW4
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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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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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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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3SZ9
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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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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
| 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
| 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
| 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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3N80
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3N82
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3N81
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3N83
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5L2O
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