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1CZA
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BU of 1cza by Molmil
MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ...
Authors:Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
Deposit date:1999-09-01
Release date:2000-03-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
6JJ8
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BU of 6jj8 by Molmil
Crystal structure of OsHXK6-ATP-Mg2+ complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of OsHXK6-ATP-Mg2+ complex
To Be Published
6JJ7
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BU of 6jj7 by Molmil
Crystal structure of OsHXK6-Glc complex
Descriptor: Rice hexokinase 6, beta-D-glucopyranose
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of OsHXK6-Glc complex
To Be Published
6JJ4
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BU of 6jj4 by Molmil
Crystal structure of OsHXK6-apo form
Descriptor: Hexokinase-6
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of OsHXK6-apo
To Be Published
6JJ9
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BU of 6jj9 by Molmil
Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ...
Authors:He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
To Be Published
1HKG
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BU of 1hkg by Molmil
STRUCTURAL DYNAMICS OF YEAST HEXOKINASE DURING CATALYSIS
Descriptor: HEXOKINASE A
Authors:Bennett Jr, W.S, Steitz, T.A.
Deposit date:1980-12-22
Release date:1981-02-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural dynamics of yeast hexokinase during catalysis.
Philos.Trans.R.Soc.London,Ser.B, 293, 1981
1HKC
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BU of 1hkc by Molmil
RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND PHOSPHATE
Descriptor: D-GLUCOSE 6-PHOSPHOTRANSFERASE, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Aleshin, A.E, Honzatko, R.B.
Deposit date:1998-07-01
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulation of hexokinase I: crystal structure of recombinant human brain hexokinase complexed with glucose and phosphate.
J.Mol.Biol., 282, 1998
4LC9
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BU of 4lc9 by Molmil
Structural Basis for Regulation of Human Glucokinase by Glucokinase Regulatory Protein
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Glucokinase, Glucokinase regulatory protein, ...
Authors:Beck, T, Miller, B.G.
Deposit date:2013-06-21
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for regulation of human glucokinase by glucokinase regulatory protein.
Biochemistry, 52, 2013
4MLE
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BU of 4mle by Molmil
Human Glucokinase in Complex with Novel Amino Thiazole Activator
Descriptor: 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
4MLH
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BU of 4mlh by Molmil
Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator
Descriptor: 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
3F9M
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BU of 3f9m by Molmil
Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap
Descriptor: 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, alpha-D-glucopyranose
Authors:Petit, P, Gluais, L, Lagarde, A, Vuillard, L, Boutin, J.A, Ferry, G.
Deposit date:2008-11-14
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
4L3Q
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BU of 4l3q by Molmil
Crystal structure of glucokinase-activator complex
Descriptor: 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one, Glucokinase, alpha-D-glucopyranose
Authors:Gajiwala, K.S, Filipski, K.J.
Deposit date:2013-06-06
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.
Bioorg.Med.Chem.Lett., 23, 2013
3FR0
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BU of 3fr0 by Molmil
Human glucokinase in complex with 2-amino benzamide activator
Descriptor: 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, SODIUM ION, ...
Authors:Kamata, K.
Deposit date:2009-01-08
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators
Bioorg.Med.Chem.Lett., 19, 2009
3FGU
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BU of 3fgu by Molmil
Catalytic complex of Human Glucokinase
Descriptor: Glucokinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Petit, P, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L.
Deposit date:2008-12-08
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
4NO7
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BU of 4no7 by Molmil
Human Glucokinase in complex with a nanomolar activator.
Descriptor: (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose
Authors:Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L.
Deposit date:2013-11-19
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The active conformation of human glucokinase is not altered by allosteric activators.
Acta Crystallogr. D Biol. Crystallogr., 67, 2011
3H1V
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BU of 3h1v by Molmil
Human glucokinase in complex with a synthetic activator
Descriptor: 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ...
Authors:Kamata, K, Takahashi, K.
Deposit date:2009-04-14
Release date:2009-10-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
3GOI
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BU of 3goi by Molmil
Human glucokinase in complex with a synthetic activator
Descriptor: 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, alpha-D-glucopyranose
Authors:Kamata, K, Mitsuya, M.
Deposit date:2009-03-19
Release date:2009-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
Bioorg.Med.Chem.Lett., 19, 2009
4FOE
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BU of 4foe by Molmil
Crystal Structure of recombinant human Hexokinase type I with Mannose 6-Phosphate
Descriptor: 6-O-phosphono-beta-D-mannopyranose, CITRIC ACID, Hexokinase-1, ...
Authors:Shen, L, Honzatko, R.B.
Deposit date:2012-06-20
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I
to be published
4ISE
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BU of 4ise by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4IWV
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BU of 4iwv by Molmil
Crystals structure of Human Glucokinase in complex with small molecule activator
Descriptor: (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M.
Deposit date:2013-01-24
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
4ISG
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BU of 4isg by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4JAX
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BU of 4jax by Molmil
Crystal structure of dimeric KlHxk1 in crystal form X
Descriptor: GLYCEROL, Hexokinase, PHOSPHATE ION
Authors:Kuettner, E.B, Strater, N, Kettner, K, Otto, A, Lilie, H, Golbik, R.P, Kriegel, T.M.
Deposit date:2013-02-19
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1.
Biochem.Biophys.Res.Commun., 435, 2013
4ISF
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BU of 4isf by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
3O1B
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BU of 3o1b by Molmil
CRYSTAL STRUCTURE OF DIMERIC KLHXK1 IN CRYSTAL FORM II
Descriptor: Hexokinase
Authors:Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
Deposit date:2010-07-21
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010

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数据于2024-07-10公开中

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