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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1TEH
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1U3V
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1U3U
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1U3W
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1U3T
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2ONO
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2ONM
 | | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+ | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ... | | 著者 | Larson, H.N, Hurley, T.D. | | 登録日 | 2007-01-24 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
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2ONN
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2ONP
 | | Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+ | | 分子名称: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ... | | 著者 | Larson, H.N, Hurley, T.D. | | 登録日 | 2007-01-24 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
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2PS1
 | | S. cerevisiae orotate phosphoribosyltransferase complexed with orotic acid and PRPP | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OROTIC ACID, ... | | 著者 | Gonzalez-Segura, L, Hurley, T.D, McClard, R.W. | | 登録日 | 2007-05-04 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Ternary complex formation and induced asymmetry in orotate phosphoribosyltransferase.
Biochemistry, 46, 2007
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2PRZ
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2PRY
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1ZUM
 | | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form | | 分子名称: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ... | | 著者 | Larson, H.N, Weiner, H, Hurley, T.D. | | 登録日 | 2005-05-31 | | 公開日 | 2005-06-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Disruption of the coenzyme binding site and dimer interface revealed in the crystal structure of mitochondrial aldehyde dehydrogenase "asian" variant
J.Biol.Chem., 280, 2005
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3SZ9
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2F17
 | | Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom | | 分子名称: | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Liu, J.Y, Timm, D.E, Hurley, T.D. | | 登録日 | 2005-11-14 | | 公開日 | 2005-11-29 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Pyrithiamine as a substrate for thiamine pyrophosphokinase
J.Biol.Chem., 281, 2006
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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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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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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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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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3N83
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3N81
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