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4H80
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BU of 4h80 by Molmil
Crystal structure of human ALDH3A1 with its isozyme selective inhibitor - N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide
Descriptor: Aldehyde dehydrogenase, dimeric NADP-preferring, N-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
Authors:Hurley, T.D, Parajuli, B.
Deposit date:2012-09-21
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kinetic and Structural Characterization of a Selective Inhibitor for Human ALDH3A1
To be Published
4L2O
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BU of 4l2o by Molmil
Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole
Descriptor: 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Hurley, T.D, Parajuli, B.
Deposit date:2013-06-04
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole
J.Med.Chem., 2014
4L1O
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BU of 4l1o by Molmil
Crystal structure of human ALDH3A1 with inhibitor 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1H-indole-2,3-dione
Descriptor: (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, ...
Authors:Hurley, T.D, Parajuli, B.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.
J.Med.Chem., 57, 2014
8FZY
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BU of 8fzy by Molmil
Bacteroides spp. Ntox15 domain type VI secretion system effector Tde1
Descriptor: 1,2-ETHANEDIOL, Ntox15 domain-containing protein, SULFATE ION
Authors:Bosch, D.E, Mougous, J.D.
Deposit date:2023-01-30
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural disruption of Ntox15 nuclease effector domains by immunity proteins protects against type VI secretion system intoxication in Bacteroidales.
Mbio, 14, 2023
8FZZ
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BU of 8fzz by Molmil
Phocaeicola vulgatus type VI secretion system Ntox15 effector and immunity Tde2/Tdi2
Descriptor: DUF1851 domain-containing protein, Ntox15 domain-containing protein
Authors:Bosch, D.E, Mougous, J.D.
Deposit date:2023-01-30
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural disruption of Ntox15 nuclease effector domains by immunity proteins protects against type VI secretion system intoxication in Bacteroidales.
Mbio, 14, 2023
8G0K
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BU of 8g0k by Molmil
Bacteroides multispecies type VI secretion system Ntox15 domain effector and immunity Tde1/Tdi1
Descriptor: DUF1851 domain-containing protein, Ntox15 domain-containing protein
Authors:Bosch, D.E, Mougous, J.D.
Deposit date:2023-01-31
Release date:2023-07-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural disruption of Ntox15 nuclease effector domains by immunity proteins protects against type VI secretion system intoxication in Bacteroidales.
Mbio, 14, 2023
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
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 (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZA
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BU of 3sza by Molmil
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
4KWF
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BU of 4kwf by Molmil
Crystal Structure Analysis of ALDH2+ALDiB33
Descriptor: 1,2-ETHANEDIOL, 1-benzyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ...
Authors:Hurley, T.D, Kimble-Hill, A.C.
Deposit date:2013-05-24
Release date:2014-04-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.
J.Med.Chem., 57, 2014
4KWG
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BU of 4kwg by Molmil
Crystal Structure Analysis of ALDH2+ALDiB13
Descriptor: 1,2-ETHANEDIOL, 7-bromo-5-methyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ...
Authors:Hurley, T.D, Kimble-Hill, A.C.
Deposit date:2013-05-24
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.
J.Med.Chem., 57, 2014

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