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PDB: 26 results

6HVI
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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ...
Authors:Banaszak, K, Sowinska, M, Gondela, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
5AK0
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Human PFKFB3 in complex with an indole inhibitor 6
Descriptor: (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
2AXN
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Crystal structure of the human inducible form 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 (6PF-2-K/Fru- 2,6-P2ASE brain/placenta-type isozyme) (iPFK-2) [Includes: 6- phosphofructo-2-kinase (EC 2.7.1.105); Fructose-2,6-bisphosphatase (EC 3.1.3.46)], ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kim, S.G, Manes, N.P, El-Maghrabi, M.R, Lee, Y.H.
Deposit date:2005-09-05
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the hypoxia-inducible form of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFKFB3): a possible new target for cancer therapy.
J.Biol.Chem., 281, 2006
6IBX
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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
4MA4
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BU of 4ma4 by Molmil
S-glutathionylated PFKFB3
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ACETIC ACID, ...
Authors:Lee, Y.-H, Seo, M.-S.
Deposit date:2013-08-15
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PFKFB3 Regulates Oxidative Stress Homeostasis via Its S-Glutathionylation in Cancer.
J.Mol.Biol., 426, 2014
3QPW
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PFKFB3 in complex with Aluminum Tetrafluoride
Descriptor: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H.
Deposit date:2011-02-14
Release date:2012-02-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Proteins, 80, 2012
2DWO
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PFKFB3 in complex with ADP and PEP
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lee, Y.H.
Deposit date:2006-08-16
Release date:2007-07-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Direct Substrate-Substrate Interaction Found in the Kinase Domain of the Bifunctional Enzyme, 6-Phosphofructo-2-kinase/Fructose-2,6-bisphosphatase
J.Mol.Biol., 370, 2007
6HVJ
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BU of 6hvj by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
3QPU
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PFKFB3 in complex with PPi
Descriptor: 1,2-ETHANEDIOL, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, PYROPHOSPHATE 2-, ...
Authors:Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H.
Deposit date:2011-02-14
Release date:2012-02-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Proteins, 80, 2012
4D4M
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BU of 4d4m by Molmil
human PFKFB3 in complex with a pyrrolopyrimidone compound
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ...
Authors:Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
5AJZ
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Human PFKFB3 in complex with an indole inhibitor 5
Descriptor: 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
6HVH
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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
5AJY
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Human PFKFB3 in complex with an indole inhibitor 4
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
6IBZ
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BU of 6ibz by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7
Descriptor: 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
3QPV
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BU of 3qpv by Molmil
PFKFB3 trapped in a phospho-enzyme intermediate state
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H.
Deposit date:2011-02-14
Release date:2012-02-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function.
Proteins, 80, 2012
5AJW
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Human PFKFB3 in complex with an indole inhibitor 2
Descriptor: 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
2I1V
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BU of 2i1v by Molmil
Crystal structure of PFKFB3 in complex with ADP and Fructose-2,6-bisphosphate
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, ...
Authors:Kim, S.G, El-Maghrabi, M.R, Lee, Y.H.
Deposit date:2006-08-15
Release date:2007-07-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Direct Substrate-Substrate Interaction Found in the Kinase Domain of the Bifunctional Enzyme, 6-Phosphofructo-2-kinase/Fructose-2,6-bisphosphatase
J.Mol.Biol., 370, 2007
6IBY
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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6ETJ
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BU of 6etj by Molmil
HUMAN PFKFB3 IN COMPLEX WITH KAN0438241
Descriptor: 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Gustafsson, N.M.S, Lundback, T, Farnegardh, K, Groth, P, Wiitta, E, Jonsson, M, Hallberg, K, Pennisi, R, Huguet Ninou, A, Martinsson, J, Norstrom, C, Schultz, J, Andersson, M, Markova, N, Marttila, P, Norin, M, Olin, T, Helleday, T.
Deposit date:2017-10-26
Release date:2018-11-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Nat Commun, 9, 2018
5AJX
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Human PFKFB3 in complex with an indole inhibitor 3
Descriptor: (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
6IC0
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BU of 6ic0 by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
2DWP
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BU of 2dwp by Molmil
A pseudo substrate complex of 6-phosphofructo-2-kinase of PFKFB
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, MAGNESIUM ION, ...
Authors:Lee, Y.H.
Deposit date:2006-08-16
Release date:2007-07-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Direct Substrate-Substrate Interaction Found in the Kinase Domain of the Bifunctional Enzyme, 6-Phosphofructo-2-kinase/Fructose-2,6-bisphosphatase
J.Mol.Biol., 370, 2007
4D4J
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human PFKFB3 in complex with a pyrrolopyrimidone compound
Descriptor: 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
5AJV
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Human PFKFB3 in complex with an indole inhibitor 1
Descriptor: (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, 2,6-di-O-phosphono-beta-D-fructofuranose, HUMAN PFKFB3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
4D4L
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human PFKFB3 in complex with a pyrrolopyrimidone compound
Descriptor: 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published

 

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