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4RCH
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BU of 4rch by Molmil
Discovery of 2-Pyridyl Ureas as Glucokinase Activators
分子名称: 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose
著者Voegtli, W, Vigers, G.P.A.
登録日2014-09-16
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014
7ZZI
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BU of 7zzi by Molmil
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
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
2NZT
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Crystal structure of human hexokinase II
分子名称: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-2, UNKNOWN ATOM OR ION, ...
著者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)
登録日2006-11-25
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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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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
1QHA
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HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP
分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Rosano, C, Sabini, E, Deriu, D, Magnani, M, Bolognesi, M.
登録日1999-05-11
公開日1999-11-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Binding of non-catalytic ATP to human hexokinase I highlights the structural components for enzyme-membrane association control.
Structure Fold.Des., 7, 1999
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
1HKG
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BU of 1hkg by Molmil
STRUCTURAL DYNAMICS OF YEAST HEXOKINASE DURING CATALYSIS
分子名称: HEXOKINASE A
著者Bennett Jr, W.S, Steitz, T.A.
登録日1980-12-22
公開日1981-02-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural dynamics of yeast hexokinase during catalysis.
Philos.Trans.R.Soc.London,Ser.B, 293, 1981
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
1IG8
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Crystal Structure of Yeast Hexokinase PII with the correct amino acid sequence
分子名称: SULFATE ION, hexokinase PII
著者Kuser, P.R, Krauchenco, S, Antunes, O.A, Polikarpov, I.
登録日2001-04-17
公開日2001-05-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ...
著者Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
登録日1999-09-01
公開日2000-03-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
1V4T
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BU of 1v4t by Molmil
Crystal structure of human glucokinase
分子名称: SODIUM ION, SULFATE ION, glucokinase isoform 2
著者Kamata, K, Mitsuya, M, Nishimura, T, Eiki, J, Nagata, Y.
登録日2003-11-19
公開日2004-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase
Structure, 12, 2004
1V4S
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Crystal structure of human glucokinase
分子名称: 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, SODIUM ION, alpha-D-glucopyranose, ...
著者Kamata, K, Mitsuya, M, Nishimura, T, Eiki, J, Nagata, Y.
登録日2003-11-19
公開日2004-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase
Structure, 12, 2004
1DGK
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MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, PHOSPHATE ION, ...
著者Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
登録日1999-11-24
公開日2000-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000
5V4X
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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
1BG3
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RAT BRAIN HEXOKINASE TYPE I COMPLEX WITH GLUCOSE AND INHIBITOR GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, HEXOKINASE, ...
著者Mulichak, A.M, Garavito, R.M.
登録日1998-06-04
公開日1999-06-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of mammalian hexokinase-1.
Nat.Struct.Biol., 5, 1998
1BDG
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HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE
分子名称: HEXOKINASE, SULFATE ION, alpha-D-glucopyranose
著者Mulichak, A.M, Garavito, R.M.
登録日1998-05-08
公開日1999-05-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of mammalian hexokinase-1.
Nat.Struct.Biol., 5, 1998
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
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
5V4W
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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
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
6VYF
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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
6PDT
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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
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
1HKC
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RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND PHOSPHATE
分子名称: D-GLUCOSE 6-PHOSPHOTRANSFERASE, PHOSPHATE ION, POTASSIUM ION, ...
著者Aleshin, A.E, Honzatko, R.B.
登録日1998-07-01
公開日1998-11-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Regulation of hexokinase I: crystal structure of recombinant human brain hexokinase complexed with glucose and phosphate.
J.Mol.Biol., 282, 1998

 

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