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1HDY
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BU of 1hdy by Molmil
THREE-DIMENSIONAL STRUCTURES OF THREE HUMAN ALCOHOL DEHYDROGENASE VARIANTS: CORRELATIONS WITH THEIR FUNCTIONAL DIFFERENCES
Descriptor: 4-IODOPYRAZOLE, ALCOHOL DEHYDROGENASE, CHLORIDE ION, ...
Authors:Hurley, T.D, Amzel, L.M.
Deposit date:1993-10-15
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of three human beta alcohol dehydrogenase variants. Correlations with their functional differences.
J.Mol.Biol., 239, 1994
1ZCT
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BU of 1zct by Molmil
structure of glycogenin truncated at residue 270 in a complex with UDP
Descriptor: Glycogenin-1, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-13
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
1ZDF
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BU of 1zdf by Molmil
Ser162 mutant of glycogenin complexed with UDP-glucose and manganese
Descriptor: Glycogenin-1, MANGANESE (II) ION, SULFATE ION, ...
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-14
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
1ZCY
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BU of 1zcy by Molmil
apo form of a mutant of glycogenin in which Asp159 is replaced by Ser
Descriptor: Glycogenin-1, SULFATE ION
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-13
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
1ZCU
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BU of 1zcu by Molmil
apo form of the 162S mutant of glycogenin
Descriptor: Glycogenin-1
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-13
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
1ZCV
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BU of 1zcv by Molmil
apo form of a mutant of glycogenin in which Asp159 is replaced by Asn
Descriptor: Glycogenin-1, SULFATE ION
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-13
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
1ZDG
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BU of 1zdg by Molmil
Ser159 mutant of glycogenin complexed with UDP-glucose and manganese
Descriptor: Glycogenin-1, MANGANESE (II) ION, SULFATE ION, ...
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-14
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
3HUD
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BU of 3hud by Molmil
THE STRUCTURE OF HUMAN BETA 1 BETA 1 ALCOHOL DEHYDROGENASE: CATALYTIC EFFECTS OF NON-ACTIVE-SITE SUBSTITUTIONS
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Hurley, T.D, Bosron, W.F, Hamilton, J.A, Amzel, L.M.
Deposit date:1993-01-04
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions.
Proc.Natl.Acad.Sci.USA, 88, 1991
1O05
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BU of 1o05 by Molmil
Apo form of human mitochondrial aldehyde dehydrogenase
Descriptor: Aldehyde dehydrogenase, SODIUM ION
Authors:Hurley, T.D, Perez-Miller, S, Breen, H.
Deposit date:2003-02-20
Release date:2003-03-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Order and disorder in mitochondrial aldehyde dehydrogenase
Chem.Biol.Interact., 130-132, 2001
1HDZ
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BU of 1hdz by Molmil
THREE-DIMENSIONAL STRUCTURES OF THREE HUMAN ALCOHOL DEHYDROGENASE VARIANTS: CORRELATIONS WITH THEIR FUNCTIONAL DIFFERENCES
Descriptor: ALCOHOL DEHYDROGENASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Hurley, T.D, Amzel, L.M.
Deposit date:1993-10-15
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of three human beta alcohol dehydrogenase variants. Correlations with their functional differences.
J.Mol.Biol., 239, 1994
1HDX
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BU of 1hdx by Molmil
THREE-DIMENSIONAL STRUCTURES OF THREE HUMAN ALCOHOL DEHYDROGENASE VARIANTS: CORRELATIONS WITH THEIR FUNCTIONAL DIFFERENCES
Descriptor: ALCOHOL DEHYDROGENASE, CHLORIDE ION, CYCLOHEXANOL, ...
Authors:Hurley, T.D, Amzel, L.M.
Deposit date:1993-10-15
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of three human beta alcohol dehydrogenase variants. Correlations with their functional differences.
J.Mol.Biol., 239, 1994
2O8G
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BU of 2o8g by Molmil
Rat pp1c gamma complexed with mouse inhibitor-2
Descriptor: MANGANESE (II) ION, Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit
Authors:Hurley, T.D.
Deposit date:2006-12-12
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
2O8A
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BU of 2o8a by Molmil
rat PP1cgamma complexed with mouse inhibitor-2
Descriptor: Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit
Authors:Hurley, T.D.
Deposit date:2006-12-12
Release date:2007-07-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
4V6B
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BU of 4v6b by Molmil
Crystal structure of human ferritin Phe167SerfsX26 mutant.
Descriptor: CALCIUM ION, Ferritin
Authors:Hurley, T.D, Vidal, R.
Deposit date:2009-06-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Unraveling of the E-helices and disruption of 4-fold pores are associated with iron mishandling in a mutant ferritin causing neurodegeneration
J.Biol.Chem., 285, 2010
7UM9
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BU of 7um9 by Molmil
Human ALDH1A1 with bound compound CM38
Descriptor: (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Hurley, T.D.
Deposit date:2022-04-06
Release date:2023-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer.
Cancers (Basel), 14, 2022
1AGN
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BU of 1agn by Molmil
X-RAY STRUCTURE OF HUMAN SIGMA ALCOHOL DEHYDROGENASE
Descriptor: ACETATE ION, HUMAN SIGMA ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Hurley, T.D, Xie, P.
Deposit date:1996-06-04
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of human class IV sigmasigma alcohol dehydrogenase. Structural basis for substrate specificity.
J.Biol.Chem., 272, 1997
4Y3U
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BU of 4y3u by Molmil
The structure of phospholamban bound to the calcium pump SERCA1a
Descriptor: Cardiac phospholamban, POTASSIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Hurley, T.D.
Deposit date:2015-02-10
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
J. Biol. Chem., 288, 2013
5TEI
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BU of 5tei by Molmil
Structure of human ALDH1A1 with inhibitor CM039
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ...
Authors:Morgan, C.A, Hurley, T.D.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of human ALDH1A1 with inhibitor CM039
To Be Published
5UW4
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BU of 5uw4 by Molmil
Activated yeast Glycogen Synthase in complex with UDP glucosamine
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2, ...
Authors:Mahalingan, K.K, Hurley, T.D.
Deposit date:2017-02-20
Release date:2018-02-28
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Activated state yeast Glycogen Synthase in complex with UDP glucosamine
To Be Published
1DEH
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BU of 1deh by Molmil
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
Descriptor: 4-IODOPYRAZOLE, CHLORIDE ION, HUMAN BETA1 ALCOHOL DEHYDROGENASE, ...
Authors:Hurley, T.D, Davis, G.J.
Deposit date:1995-10-14
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure of human beta3beta3 alcohol dehydrogenase. The contribution of ionic interactions to coenzyme binding.
J.Biol.Chem., 271, 1996
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:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of indole-2,3-diones as novel class of inhibitors for ALDH isozymes.
To be Published
4KYT
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BU of 4kyt by Molmil
The structure of superinhibitory phospholamban bound to the calcium pump SERCA1a
Descriptor: Cardiac phospholamban, POTASSIUM ION, SERCA1a, ...
Authors:Hurley, T.D, Akin, B.L, Jones, L.R.
Deposit date:2013-05-29
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.833 Å)
Cite:The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
J.Biol.Chem., 288, 2013
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
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
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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