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6R2N
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BU of 6r2n by Molmil
Crystal structure of KlGlk1 glucokinase from Kluyveromyces lactis
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Glucokinase-1
Authors:Zak, K, Wator, E, Grudnik, P.
Deposit date:2019-03-18
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Crystal Structure of Kluyveromyces lactis Glucokinase ( Kl Glk1).
Int J Mol Sci, 20, 2019
7ZZI
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BU of 7zzi by Molmil
Plasmodium falciparum hexokinase complexed with glucose and citrate
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ...
Authors:Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K.
Deposit date:2022-05-25
Release date:2023-08-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion.
Int J Mol Sci, 24, 2023
2NZT
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BU of 2nzt by Molmil
Crystal structure of human hexokinase II
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-2, UNKNOWN ATOM OR ION, ...
Authors:Rabeh, W.M, Zhu, H, Nedyalkova, L, Tempel, W, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-11-25
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The catalytic inactivation of the N-half of human hexokinase 2 and structural and biochemical characterization of its mitochondrial conformation.
Biosci.Rep., 38, 2018
5ZQT
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BU of 5zqt by Molmil
Crystal structure of Oryza sativa hexokinase 6
Descriptor: Hexokinase-6, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Matsudaira, K, Mochizuki, S, Yoshida, H, Kamitori, S, Akimitsu, K.
Deposit date:2018-04-20
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structure of Oryza sativa hexokinase 6
To Be Published
1QHA
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BU of 1qha by Molmil
HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Rosano, C, Sabini, E, Deriu, D, Magnani, M, Bolognesi, M.
Deposit date:1999-05-11
Release date:1999-11-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding of non-catalytic ATP to human hexokinase I highlights the structural components for enzyme-membrane association control.
Structure Fold.Des., 7, 1999
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
6KRJ
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BU of 6krj by Molmil
Crystal structure of Hexokinase
Descriptor: Phosphotransferase
Authors:Sun, M.F, Wang, Y.H, Liao, S.Q, Yuan, H.
Deposit date:2019-08-22
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of Hexokinase
To Be Published
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
6KSR
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BU of 6ksr by Molmil
Crystal structure of Hexokinase from Eimeria tenella
Descriptor: Phosphotransferase, alpha-D-galactopyranose
Authors:Yuan, H, Sun, M.F, Wang, Y.H, Liao, S.Q.
Deposit date:2019-08-25
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of Hexokinase from Eimeria tenella
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
6P4X
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BU of 6p4x by Molmil
Crystal Structure of the S. cerevisiae glucokinase, Glk1
Descriptor: Glucokinase-1, PHOSPHATE ION
Authors:Stoddard, P.R, Garner, E.C, Murray, A.W.
Deposit date:2019-05-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
6E0I
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BU of 6e0i by Molmil
Crystal structure of Glucokinase in complex with compound 72
Descriptor: 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ...
Authors:Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D.
Deposit date:2018-07-06
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
1IG8
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BU of 1ig8 by Molmil
Crystal Structure of Yeast Hexokinase PII with the correct amino acid sequence
Descriptor: SULFATE ION, hexokinase PII
Authors:Kuser, P.R, Krauchenco, S, Antunes, O.A, Polikarpov, I.
Deposit date:2001-04-17
Release date:2001-05-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The high resolution crystal structure of yeast hexokinase PII with the correct primary sequence provides new insights into its mechanism of action.
J.Biol.Chem., 275, 2000
6PDT
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BU of 6pdt by Molmil
cryoEM structure of yeast glucokinase filament
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Glucokinase-1, MAGNESIUM ION, ...
Authors:Lynch, E.M, Dosey, A.M, Farrell, D.P, Stoddard, P.R, Kollman, J.M.
Deposit date:2019-06-19
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
6E0E
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BU of 6e0e by Molmil
Crystal structure of Glucokinase in complex with compound 6
Descriptor: 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose
Authors:Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D.
Deposit date:2018-07-06
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
6VYG
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BU of 6vyg by Molmil
Cryo-EM structure of Plasmodium vivax hexokinase (Closed state)
Descriptor: Phosphotransferase
Authors:Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
Deposit date:2020-02-26
Release date:2020-05-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
3S41
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BU of 3s41 by Molmil
Glucokinase in complex with activator and glucose
Descriptor: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2011-05-18
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
1V4T
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BU of 1v4t by Molmil
Crystal structure of human glucokinase
Descriptor: SODIUM ION, SULFATE ION, glucokinase isoform 2
Authors:Kamata, K, Mitsuya, M, Nishimura, T, Eiki, J, Nagata, Y.
Deposit date:2003-11-19
Release date:2004-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase
Structure, 12, 2004
6VYF
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BU of 6vyf by Molmil
Cryo-EM structure of Plasmodium vivax hexokinase (Open state)
Descriptor: Phosphotransferase
Authors:Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
Deposit date:2020-02-26
Release date:2020-05-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
5V4X
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BU of 5v4x by Molmil
Human glucokinase in complex with novel pyrazole activator.
Descriptor: (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Skene, R.J, Hosfiled, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
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
1HKB
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BU of 1hkb by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ...
Authors:Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
Deposit date:1997-12-01
Release date:1998-06-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate.
Structure, 6, 1998
5V4W
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BU of 5v4w by Molmil
Human glucokinase in complex with novel indazole activator.
Descriptor: (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2017-03-10
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
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

 

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