4V6B
 
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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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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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7UM9
 | | Human ALDH1A1 with bound compound CM38 | | 分子名称: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Hurley, T.D. | | 登録日 | 2022-04-06 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer.
Cancers (Basel), 14, 2022
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4Y3U
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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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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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1HDZ
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1HDX
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1HDY
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1HTB
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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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4L2O
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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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2HZY
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3HUD
 | | THE STRUCTURE OF HUMAN BETA 1 BETA 1 ALCOHOL DEHYDROGENASE: CATALYTIC EFFECTS OF NON-ACTIVE-SITE SUBSTITUTIONS | | 分子名称: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | 著者 | Hurley, T.D, Bosron, W.F, Hamilton, J.A, Amzel, L.M. | | 登録日 | 1993-01-04 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions.
Proc.Natl.Acad.Sci.USA, 88, 1991
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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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1O05
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4H80
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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 | 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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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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