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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
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
4ISE
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BU of 4ise by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-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 (1.78 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
5K93
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BU of 5k93 by Molmil
PapD wild-type chaperone
Descriptor: Chaperone protein PapD
Authors:Sarowar, S, Li, H.
Deposit date:2016-05-31
Release date:2016-07-20
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Escherichia coli P and Type 1 Pilus Assembly Chaperones PapD and FimC Are Monomeric in Solution.
J.Bacteriol., 198, 2016
4IWV
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BU of 4iwv by Molmil
Crystals structure of Human Glucokinase in complex with small molecule activator
Descriptor: (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M.
Deposit date:2013-01-24
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
4J3O
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BU of 4j3o by Molmil
Crystal structure of the FimD usher traversed by the pilus tip complex assembly composed of FimC:FimF:FimG:FimH
Descriptor: Chaperone protein FimC, Outer membrane usher protein FimD, Protein FimF, ...
Authors:Geibel, S, Waksman, G.
Deposit date:2013-02-06
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural and energetic basis of folded-protein transport by the FimD usher.
Nature, 496, 2013
4ISG
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BU of 4isg by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-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 (2.645 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
4DJM
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BU of 4djm by Molmil
Crystal structure of the E. coli chaperone DraB
Descriptor: DraB
Authors:Dauter, Z, Piatek, R, Dauter, M, Brzuszkiewicz, A.
Deposit date:2012-02-02
Release date:2013-01-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of the uropathogenic Escherichia coli chaperone DraB
To be Published
4DWH
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BU of 4dwh by Molmil
Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution)
Descriptor: Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Scharer, M.A, Puorger, C, Crespo, M, Glockshuber, R, Capitani, G.
Deposit date:2012-02-24
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Quality control of disulfide bond formation in pilus subunits by the chaperone FimC.
Nat.Chem.Biol., 8, 2012
4DCH
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BU of 4dch by Molmil
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
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
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
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
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
3HM8
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BU of 3hm8 by Molmil
Crystal structure of the C-terminal Hexokinase domain of human HK3
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-3, alpha-D-glucopyranose
Authors:Nedyalkova, L, Tong, Y, Rabeh, W, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-05-28
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the C-terminal Hexokinase domain of human HK3
To be Published
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
3H1V
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BU of 3h1v by Molmil
Human glucokinase in complex with a synthetic activator
Descriptor: 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ...
Authors:Kamata, K, Takahashi, K.
Deposit date:2009-04-14
Release date:2009-10-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
4FPB
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BU of 4fpb by Molmil
Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate
Descriptor: 1,5-anhydro-6-O-phosphono-D-glucitol, CITRIC ACID, Hexokinase-1, ...
Authors:Shen, L, Honzatko, R.B.
Deposit date:2012-06-21
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I
to be published
6FQ0
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BU of 6fq0 by Molmil
Crystal structure of the CsuC-CsuA/B chaperone-subunit preassembly complex of the archaic chaperone-usher Csu pili of Acinetobacter baumannii
Descriptor: CsuA/B,CsuA/B, CsuC
Authors:Pakharukova, N.A, Tuitilla, M, Paavilainen, S, Zavialov, A.V.
Deposit date:2018-02-12
Release date:2018-09-26
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Archaic and alternative chaperones preserve pilin folding energy by providing incomplete structural information.
J. Biol. Chem., 293, 2018
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
3IMX
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BU of 3imx by Molmil
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
4F9O
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BU of 4f9o by Molmil
Crystal Structure of recombinant human Hexokinase type I with 2-deoxy-Glucose 6-Phosphate
Descriptor: 2-deoxy-6-O-phosphono-beta-D-glucopyranose, CITRIC ACID, Hexokinase-1, ...
Authors:Shen, L, Honzatko, R.B.
Deposit date:2012-05-19
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I
to be published
6ITC
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BU of 6itc by Molmil
Structure of a substrate engaged SecA-SecY protein translocation machine
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Ma, C.Y, Wu, X.F, Sun, D.J, Park, E.Y, Rapoport, T.A, Gao, N, Long, L.
Deposit date:2018-11-21
Release date:2019-06-12
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure of the substrate-engaged SecA-SecY protein translocation machine.
Nat Commun, 10, 2019
6FQA
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BU of 6fqa by Molmil
Crystal structure of the CsuC-CsuA/B chaperone-subunit preassembly complex of the archaic chaperone-usher Csu pili of Acinetobacter baumannii
Descriptor: CsuA/B,CsuA/B, CsuC
Authors:Parilova, O, Pakharukova, N.A, Malmi, H, Tuitilla, M, Paavilainen, S, Zavialov, A.V.
Deposit date:2018-02-13
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Archaic and alternative chaperones preserve pilin folding energy by providing incomplete structural information.
J. Biol. Chem., 293, 2018
4FOI
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BU of 4foi by Molmil
Crystal Structure of recombinant human Hexokinase type I mutant D413N with Glucose 1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, 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 (2.4 Å)
Cite:DETERMINATION of SITE AFFINITY CONSTANTS FOR PRODUCT INHIBITION OF WILD-TYPE AND MUTANT FORMS OF RECOMBINANT HUMAN HEXOKINASE TYPE I
To be Published

224931

數據於2024-09-11公開中

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