3N83
 
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3INL
 | | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1 | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ... | | Authors: | Perez-Miller, S, Hurley, T.D. | | Deposit date: | 2009-08-12 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.862 Å) | | Cite: | 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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1AG8
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1A4Z
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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) | | Descriptor: | 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, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2018-06-21 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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2F17
 | | Mouse Thiamin Pyrophosphokinase in a Ternary Complex with Pyrithiamin Pyrophosphate and AMP at 2.5 angstrom | | Descriptor: | 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, ... | | Authors: | Liu, J.Y, Timm, D.E, Hurley, T.D. | | Deposit date: | 2005-11-14 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pyrithiamine as a substrate for thiamine pyrophosphokinase
J.Biol.Chem., 281, 2006
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5L2O
 | | Crystal Structure of ALDH1A1 in complex with BUC22 | | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-08-02 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
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5L2N
 | | Structure of ALDH1A1 in complex with BUC25 | | Descriptor: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-08-02 | | Release date: | 2017-03-08 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
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5L2M
 | | Structure of ALDH1A1 in complex with BUC11 | | Descriptor: | 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-08-02 | | Release date: | 2017-03-08 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
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5L13
 | | Structure of ALDH2 in complex with 2P3 | | Descriptor: | 1,2-ETHANEDIOL, 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one, Aldehyde dehydrogenase, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-07-28 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
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3KFH
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3KFI
 | | Major mouse urinary protein IV complexed with 2,5-dimethylpyrazine | | Descriptor: | 2,5-dimethylpyrazine, CHLORIDE ION, Major urinary protein 4 | | Authors: | Perez-Miller, S, Zou, Q, Hurley, T.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
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3KFG
 | | Major mouse urinary protein IV complexed with 2-heptanone | | Descriptor: | (2S)-2-ethylhexan-1-ol, CHLORIDE ION, Major urinary protein 4, ... | | Authors: | Perez-Miller, S, Zou, Q, Hurley, T.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
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3KFF
 | | Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole | | Descriptor: | 2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, CHLORIDE ION, ... | | Authors: | Perez-Miller, S, Zou, Q, Hurley, T.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
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3SZB
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3SZA
 | | Crystal structure of human ALDH3A1 - apo form | | Descriptor: | ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ... | | Authors: | Khanna, M, Hurley, T.D. | | Deposit date: | 2011-07-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
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1HSO
 | | HUMAN ALPHA ALCOHOL DEHYDROGENASE (ADH1A) | | Descriptor: | 4-IODOPYRAZOLE, CLASS I ALCOHOL DEHYDROGENASE 1, ALPHA SUBUNIT, ... | | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | | Deposit date: | 2000-12-27 | | Release date: | 2001-01-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases.
Protein Sci., 10, 2001
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1HT0
 | | HUMAN GAMMA-2 ALCOHOL DEHYDROGENSE | | Descriptor: | CLASS I ALCOHOL DEHYDROGENASE 3, GAMMA SUBUNIT, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | | Deposit date: | 2000-12-27 | | Release date: | 2001-01-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases.
Protein Sci., 10, 2001
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1HSZ
 | | HUMAN BETA-1 ALCOHOL DEHYDROGENASE (ADH1B*1) | | Descriptor: | CLASS I ALCOHOL DEHYDROGENASE 1, BETA SUBUNIT, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Niederhut, M.S, Gibbons, B.J, Perez-Miller, S, Hurley, T.D. | | Deposit date: | 2000-12-27 | | Release date: | 2001-01-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-dimensional structures of the three human class I alcohol dehydrogenases.
Protein Sci., 10, 2001
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1TEH
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3NB0
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3NAZ
 | | Basal state form of Yeast Glycogen Synthase | | Descriptor: | Glycogen [starch] synthase isoform 2, PEPTIDE, SULFATE ION | | Authors: | Baskaran, S, Hurley, T.D. | | Deposit date: | 2010-06-02 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3NCH
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3O3C
 | | Glycogen synthase basal state UDP complex | | Descriptor: | Glycogen [starch] synthase isoform 2, SULFATE ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Baskaran, S, Hurley, T.D. | | Deposit date: | 2010-07-23 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.512 Å) | | Cite: | Structural basis for glucose-6-phosphate activation of glycogen synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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