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7ZZI
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Plasmodium falciparum hexokinase complexed with glucose and citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ...
著者Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K.
登録日2022-05-25
公開日2023-08-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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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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
分子名称: 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
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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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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
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: Phosphotransferase
著者Sun, M.F, Wang, Y.H, Liao, S.Q, Yuan, H.
登録日2019-08-22
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of Hexokinase
To Be Published
6KSR
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BU of 6ksr by Molmil
Crystal structure of Hexokinase from Eimeria tenella
分子名称: Phosphotransferase, alpha-D-galactopyranose
著者Yuan, H, Sun, M.F, Wang, Y.H, Liao, S.Q.
登録日2019-08-25
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of Hexokinase from Eimeria tenella
To Be Published
6VYF
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BU of 6vyf by Molmil
Cryo-EM structure of Plasmodium vivax hexokinase (Open state)
分子名称: Phosphotransferase
著者Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
登録日2020-02-26
公開日2020-05-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
6VYG
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Cryo-EM structure of Plasmodium vivax hexokinase (Closed state)
分子名称: Phosphotransferase
著者Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S.
登録日2020-02-26
公開日2020-05-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures
Iucrj, 7, 2020
6P4X
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Crystal Structure of the S. cerevisiae glucokinase, Glk1
分子名称: Glucokinase-1, PHOSPHATE ION
著者Stoddard, P.R, Garner, E.C, Murray, A.W.
登録日2019-05-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
6PDT
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BU of 6pdt by Molmil
cryoEM structure of yeast glucokinase filament
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Glucokinase-1, MAGNESIUM ION, ...
著者Lynch, E.M, Dosey, A.M, Farrell, D.P, Stoddard, P.R, Kollman, J.M.
登録日2019-06-19
公開日2020-03-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
6R2N
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BU of 6r2n by Molmil
Crystal structure of KlGlk1 glucokinase from Kluyveromyces lactis
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, Glucokinase-1
著者Zak, K, Wator, E, Grudnik, P.
登録日2019-03-18
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Crystal Structure of Kluyveromyces lactis Glucokinase ( Kl Glk1).
Int J Mol Sci, 20, 2019
6E0I
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BU of 6e0i by Molmil
Crystal structure of Glucokinase in complex with compound 72
分子名称: 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, ...
著者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.
登録日2018-07-06
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose
著者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.
登録日2018-07-06
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
6JJ8
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BU of 6jj8 by Molmil
Crystal structure of OsHXK6-ATP-Mg2+ complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
登録日2019-02-25
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: Rice hexokinase 6, beta-D-glucopyranose
著者He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
登録日2019-02-25
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: Hexokinase-6
著者He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
登録日2019-02-25
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ...
著者He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L.
登録日2019-02-25
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
To Be Published
5ZQT
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BU of 5zqt by Molmil
Crystal structure of Oryza sativa hexokinase 6
分子名称: Hexokinase-6, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Matsudaira, K, Mochizuki, S, Yoshida, H, Kamitori, S, Akimitsu, K.
登録日2018-04-20
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献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.
分子名称: (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Skene, R.J, Hosfiled, D.J.
登録日2017-03-10
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献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.
分子名称: (2S)-2-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Skene, R.J, Hosfield, D.J.
登録日2017-03-10
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators.
Bioorg. Med. Chem. Lett., 27, 2017
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
分子名称: 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
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献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
分子名称: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-06
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
分子名称: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4QS7
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BU of 4qs7 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in glucose-bound form
分子名称: Hexokinase-1, beta-D-glucopyranose
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4QS9
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Arabidopsis Hexokinase 1 (AtHXK1) mutant S177A structure in glucose-bound form
分子名称: Hexokinase-1, beta-D-glucopyranose
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4QS8
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Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
分子名称: Hexokinase-1
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015

 

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