4V6B
 
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1HTB
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8T0N
 | | Structure of Compound 4 bound to human ALDH1A1 | | 分子名称: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | | 著者 | Hurley, T.D. | | 登録日 | 2023-06-01 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes.
Chem.Biol.Interact., 391, 2024
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8T0T
 | | Structure of Compound 4 bound to human ALDH1A1 | | 分子名称: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile, Aldehyde dehydrogenase 1A1, CHLORIDE ION, ... | | 著者 | Hurley, T.D. | | 登録日 | 2023-06-01 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Development of substituted benzimidazoles as inhibitors of human aldehyde dehydrogenase 1A isoenzymes.
Chem.Biol.Interact., 391, 2024
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4Y3U
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2O8G
 | | Rat pp1c gamma complexed with mouse inhibitor-2 | | 分子名称: | MANGANESE (II) ION, Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | | 著者 | Hurley, T.D. | | 登録日 | 2006-12-12 | | 公開日 | 2007-07-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
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2O8A
 | | rat PP1cgamma complexed with mouse inhibitor-2 | | 分子名称: | Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | | 著者 | Hurley, T.D. | | 登録日 | 2006-12-12 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
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1ZCY
 | | apo form of a mutant of glycogenin in which Asp159 is replaced by Ser | | 分子名称: | Glycogenin-1, SULFATE ION | | 著者 | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | 登録日 | 2005-04-13 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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1ZCU
 | | apo form of the 162S mutant of glycogenin | | 分子名称: | Glycogenin-1 | | 著者 | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | 登録日 | 2005-04-13 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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1ZCT
 | | structure of glycogenin truncated at residue 270 in a complex with UDP | | 分子名称: | Glycogenin-1, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE | | 著者 | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | 登録日 | 2005-04-13 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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1ZDF
 | | Ser162 mutant of glycogenin complexed with UDP-glucose and manganese | | 分子名称: | Glycogenin-1, MANGANESE (II) ION, SULFATE ION, ... | | 著者 | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | 登録日 | 2005-04-14 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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1ZCV
 | | apo form of a mutant of glycogenin in which Asp159 is replaced by Asn | | 分子名称: | Glycogenin-1, SULFATE ION | | 著者 | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | 登録日 | 2005-04-13 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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1ZDG
 | | Ser159 mutant of glycogenin complexed with UDP-glucose and manganese | | 分子名称: | Glycogenin-1, MANGANESE (II) ION, SULFATE ION, ... | | 著者 | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | 登録日 | 2005-04-14 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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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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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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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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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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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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2HZY
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4H80
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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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1DEH
 | | CRYSTALLIZATION OF HUMAN BETA1 ALCOHOL DEHYDROGENASE (15 MG/ML) IN 50 MM SODIUM PHOSPHATE (PH 7.5), 2.0 MM NAD+ AND 1 MM 4-IODOPYRAZOLE AT 25 OC, 13% (W/V) PEG 8000 | | 分子名称: | 4-IODOPYRAZOLE, CHLORIDE ION, HUMAN BETA1 ALCOHOL DEHYDROGENASE, ... | | 著者 | Hurley, T.D, Davis, G.J. | | 登録日 | 1995-10-14 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-ray structure of human beta3beta3 alcohol dehydrogenase. The contribution of ionic interactions to coenzyme binding.
J.Biol.Chem., 271, 1996
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1HDY
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1HDZ
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1HDX
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