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3O8N
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BU of 3o8n by Molmil
Structure of phosphofructokinase from rabbit skeletal muscle
Descriptor: 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Banaszak, K, Chang, S.H, Rypniewski, W.
Deposit date:2010-08-03
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
3O8O
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BU of 3o8o by Molmil
Structure of phosphofructokinase from Saccharomyces cerevisiae
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase subunit alpha, ...
Authors:Banaszak, K, Mechin, I, Kopperschlager, G, Rypniewski, W.
Deposit date:2010-08-03
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
3O8L
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BU of 3o8l by Molmil
Structure of phosphofructokinase from rabbit skeletal muscle
Descriptor: 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Banaszak, K, Chang, S.H, Rypniewski, W.
Deposit date:2010-08-03
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
3TJA
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BU of 3tja by Molmil
Crystal structure of Helicobacter pylori UreE in the apo form
Descriptor: CHLORIDE ION, SULFATE ION, Urease accessory protein ureE
Authors:Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S.
Deposit date:2011-08-24
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Biochem.J., 441, 2012
3TJ9
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BU of 3tj9 by Molmil
Crystal structure of Helicobacter pylori UreE bound to Zn2+
Descriptor: FORMIC ACID, Urease accessory protein ureE, ZINC ION
Authors:Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S.
Deposit date:2011-08-24
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.521 Å)
Cite:Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Biochem.J., 441, 2012
3TJ8
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BU of 3tj8 by Molmil
Crystal structure of Helicobacter pylori UreE bound to Ni2+
Descriptor: FORMIC ACID, NICKEL (II) ION, Urease accessory protein ureE
Authors:Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S.
Deposit date:2011-08-24
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking.
Biochem.J., 441, 2012
1TJD
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BU of 1tjd by Molmil
The crystal structure of the reduced disulphide bond isomerase, DsbC, from Escherichia coli
Descriptor: Thiol:disulfide interchange protein dsbC
Authors:Banaszak, K, Mechin, I, Frost, G, Rypniewski, W.
Deposit date:2004-06-04
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the reduced disulfide-bond isomerase DsbC from Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
6HVI
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BU of 6hvi by Molmil
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:2020-07-29
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
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:2020-07-29
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
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:2020-07-29
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
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
6IBY
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BU of 6iby by Molmil
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
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
6IBX
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BU of 6ibx by Molmil
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
4XW0
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BU of 4xw0 by Molmil
Crystal structure of (GCCU(G-LNA)CCUGC)2 duplex
Descriptor: RNA (5'-R(*GP*CP*CP*UP*(LCG)P*CP*CP*UP*GP*C)-3'), SULFATE ION
Authors:Kiliszek, A, Banaszak, K, Rypniewski, W.
Deposit date:2015-01-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Watson-Crick-like pairs in CCUG repeats: evidence for tautomeric shifts or protonation.
Rna, 22, 2016
4XW1
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BU of 4xw1 by Molmil
Crystal structure of (GCCU(G-LNA)CCUG)2 duplex
Descriptor: RNA (5'-R(*GP*CP*CP*UP*(LCG)P*CP*CP*UP*G)-3')
Authors:Kiliszek, A, Banaszak, K, Rypniewski, W.
Deposit date:2015-01-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Watson-Crick-like pairs in CCUG repeats: evidence for tautomeric shifts or protonation.
Rna, 22, 2016
5NOO
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BU of 5noo by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W.
Deposit date:2017-04-12
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
4L3K
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BU of 4l3k by Molmil
Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+
Descriptor: NICKEL (II) ION, Urease accessory protein UreE, ZINC ION
Authors:Zambelli, B, Banaszak, K, Merloni, A, Kiliszek, A, Rypniewski, W.R, Ciurli, S.
Deposit date:2013-06-06
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallochaperone in the urease assembly: a calorimetric and crystallographic study.
J.Biol.Inorg.Chem., 18, 2013
4EZ8
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BU of 4ez8 by Molmil
Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
4IRR
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BU of 4irr by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase
Authors:Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
Deposit date:2013-01-15
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
4IQB
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BU of 4iqb by Molmil
High Resolution Crystal Structure of C.elegans Thymidylate Synthase
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
Deposit date:2013-01-11
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
4ISW
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BU of 4isw by Molmil
Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
Deposit date:2013-01-17
Release date:2013-12-11
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
5EME
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BU of 5eme by Molmil
Complex of RNA r(GCAGCAGC) with antisense PNA p(CTGCTGC)
Descriptor: Antisense PNA strand, CHLORIDE ION, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
Authors:Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs.
Nucleic Acids Res., 44, 2016
5EMG
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BU of 5emg by Molmil
Crystal structures of PNA p(GCTGCTGC)2 duplex containing T-T mismatches
Descriptor: CHLORIDE ION, GPN-CPN-TPN-GPN-CPN-TPN-GPN-CPN, SODIUM ION
Authors:Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs.
Nucleic Acids Res., 44, 2016
5EMF
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BU of 5emf by Molmil
Crystal structure of RNA r(GCUGCUGC) with antisense PNA p(GCAGCAGC)
Descriptor: CHLORIDE ION, RNA (5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3'), antisense PNA p(GCAGCAGC)
Authors:Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs.
Nucleic Acids Res., 44, 2016

 

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