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PDB: 35 results

3IMX
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Crystal Structure of human glucokinase in complex with a synthetic activator
Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2009-08-11
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
3A0I
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Human glucokinase in complex with a synthetic activator
Descriptor: 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide, Glucokinase, SODIUM ION, ...
Authors:Kamata, K, Mitsuya, M.
Deposit date:2009-03-19
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
Bioorg.Med.Chem.Lett., 19, 2009
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
3QIC
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The structure of human glucokinase E339K mutation
Descriptor: GLYCEROL, Glucokinase, alpha-D-glucopyranose
Authors:Liu, Q, Liu, S, Liu, J.
Deposit date:2011-01-27
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site.
Febs Lett., 585, 2011
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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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
4DHY
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BU of 4dhy by Molmil
Crystal structure of human glucokinase in complex with glucose and activator
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:2012-01-30
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
4DCH
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Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
Descriptor: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
Deposit date:2012-01-17
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
6E0I
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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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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
5V4X
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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
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
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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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
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
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
1V4S
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BU of 1v4s by Molmil
Crystal structure of human glucokinase
Descriptor: 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, SODIUM ION, alpha-D-glucopyranose, ...
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 (2.3 Å)
Cite:Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase
Structure, 12, 2004
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
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
3F9M
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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
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
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
3VF6
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Glucokinase in complex with glucose and activator
Descriptor: 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
3VEY
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BU of 3vey by Molmil
glucokinase in complex with glucose and ATPgS
Descriptor: 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
3VEV
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Glucokinase in complex with an activator and glucose
Descriptor: (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
3GOI
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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

 

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