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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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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1CW3
 | | HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+ | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, MITOCHONDRIAL ALDEHYDE DEHYDROGENASE, ... | | Authors: | Ni, L, Zhou, J, Hurley, T.D, Weiner, H. | | Deposit date: | 1999-08-25 | | Release date: | 1999-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Human liver mitochondrial aldehyde dehydrogenase: three-dimensional structure and the restoration of solubility and activity of chimeric forms.
Protein Sci., 8, 1999
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1D1S
 | | WILD-TYPE HUMAN SIGMA (CLASS IV) ALCOHOL DEHYDROGENASE | | Descriptor: | ACETATE ION, ALCOHOL DEHYDROGENASE CLASS IV SIGMA CHAIN, CACODYLATE ION, ... | | Authors: | Xie, P.T, Hurley, T.D. | | Deposit date: | 1999-09-21 | | Release date: | 1999-09-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Methionine-141 directly influences the binding of 4-methylpyrazole in human sigma sigma alcohol dehydrogenase.
Protein Sci., 8, 1999
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1D1T
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5UW0
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5UW1
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5UX7
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5VNC
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5SUK
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5SUL
 | | Inhibited state structure of yGsy2p | | Descriptor: | Glycogen [starch] synthase isoform 2, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-MONOPHOSPHATE | | Authors: | Mahalingan, K.K, Hurley, T.D. | | Deposit date: | 2016-08-03 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Redox Switch for the Inhibited State of Yeast Glycogen Synthase Mimics Regulation by Phosphorylation.
Biochemistry, 56, 2017
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3RT1
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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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1TEH
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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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4KQ1
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4KQ2
 | | Glucose1,2cyclic phosphate bound activated state of Yeast Glycogen Synthase | | Descriptor: | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide, 6-O-phosphono-alpha-D-glucopyranose, BARIUM ION, ... | | Authors: | Chikwana, V.M, Hurley, T.D. | | Deposit date: | 2013-05-14 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1CKJ
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1CKI
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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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