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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
Descriptor: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HFU
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BU of 5hfu by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine
Descriptor: Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
Descriptor: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-06
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4RCH
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BU of 4rch by Molmil
Discovery of 2-Pyridyl Ureas as Glucokinase Activators
Descriptor: 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W, Vigers, G.P.A.
Deposit date:2014-09-16
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014
4QS9
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BU of 4qs9 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) mutant S177A structure in glucose-bound form
Descriptor: Hexokinase-1, beta-D-glucopyranose
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4QS8
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BU of 4qs8 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
Descriptor: Hexokinase-1
Authors:Feng, J, Zhao, S, Liu, L.
Deposit date:2014-07-03
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015

 

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