Author results

1TJD
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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:2011-07-13
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
3O8L
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STRUCTURE OF PHOSPHOFRUCTOKINASE FROM RABBIT SKELETAL MUSCLE
Descriptor:6-phosphofructokinase, muscle type, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Banaszak, K., Chang, S.H., Rypniewski, W.
Deposit date:2010-08-03
Release date:2011-02-02
Last modified:2011-07-13
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
3O8N
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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:2011-07-13
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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STRUCTURE OF PHOSPHOFRUCTOKINASE FROM SACCHAROMYCES CEREVISIAE
Descriptor:6-phosphofructokinase subunit alpha, 6-phosphofructokinase subunit beta, FRUCTOSE-6-PHOSPHATE, ...
Authors:Banaszak, K., Mechin, I., Kopperschlager, G., Rypniewski, W.
Deposit date:2010-08-03
Release date:2011-02-02
Last modified:2017-11-08
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
3TJ8
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CRYSTAL STRUCTURE OF HELICOBACTER PYLORI UREE BOUND TO NI2+
Descriptor:Urease accessory protein ureE, FORMIC ACID, NICKEL (II) 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:2012-02-01
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
3TJ9
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CRYSTAL STRUCTURE OF HELICOBACTER PYLORI UREE BOUND TO ZN2+
Descriptor:Urease accessory protein ureE, ZINC ION, FORMIC ACID
Authors:Banaszak, K., Bellucci, M., Zambelli, B., Rypniewski, W.R., Ciurli, S.
Deposit date:2011-08-24
Release date:2011-11-02
Last modified:2012-02-01
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
3TJA
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CRYSTAL STRUCTURE OF HELICOBACTER PYLORI UREE IN THE APO FORM
Descriptor:Urease accessory protein ureE, SULFATE ION, CHLORIDE 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:2012-02-01
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
6HVH
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 1
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Jakubiec, K., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2019-01-16
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
6HVI
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 2
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Sowinska, M., Gondela, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2019-01-16
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
6HVJ
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 3
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, FRUCTOSE-6-PHOSPHATE, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2019-01-16
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
6IBX
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 5
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
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
6IBY
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 6
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
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
6IBZ
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 7
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, PHOSPHATE ION, CITRATE ANION, ...
Authors:Banaszak, K., Tomczyk, M., Guzik, P., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
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
6IC0
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 4
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
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
4EZ8
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CRYSTAL STRUCTURE OF MOUSE THYMIDYLATE SYTHASE IN TERNARY COMPLEX WITH N(4)-HYDROXY-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE AND THE COFACTOR PRODUCT, DIHYDROFOLATE
Descriptor:Thymidylate synthase, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, ...
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
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
4IQB
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HIGH RESOLUTION CRYSTAL STRUCTURE OF C.ELEGANS THYMIDYLATE SYNTHASE
Descriptor:Thymidylate synthase, SULFATE ION
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:2018-11-28
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
4IQQ
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CRYSTAL STRUCTURE OF C.ELEGANS THYMIDYLATE SYNTHASE IN COMPLEX WITH DUMP AND TOMUDEX
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX
Authors:Wilk, P., Dowiercial, A., Banaszak, K., Jarmula, A., Rypniewski, W., Rode, W.
Deposit date:2013-01-13
Release date:2014-01-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
To be Published
4IRR
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CRYSTAL STRUCTURE OF C.ELEGANS THYMIDYLATE SYNTHASE IN COMPLEX WITH DUMP
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE
Authors:Wilk, P., Dowiercial, A., Banaszak, K., Jarmula, A., Rypniewski, W., Rode, W.
Deposit date:2013-01-15
Release date:2014-01-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
4ISW
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CRYSTAL STRUCTURE OF PHOSPHORYLATED C.ELEGANS THYMIDYLATE SYNTHASE IN COMPLEX WITH DUMP
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
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
4L3K
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CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREE BOUND TO NI2+ AND ZN2+
Descriptor:Urease accessory protein UreE, NICKEL (II) ION, 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:2014-02-05
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
4XW0
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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
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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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
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Watson-Crick-like pairs in CCUG repeats: evidence for tautomeric shifts or protonation.
Rna, 22, 2016
5EME
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COMPLEX OF RNA R(GCAGCAGC) WITH ANTISENSE PNA P(CTGCTGC)
Descriptor:RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3'), Antisense PNA strand, CHLORIDE ION
Authors:Kiliszek, A., Banaszak, K., Dauter, Z., Rypniewski, W.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2017-05-17
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
5EMF
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CRYSTAL STRUCTURE OF RNA R(GCUGCUGC) WITH ANTISENSE PNA P(GCAGCAGC)
Descriptor:RNA (5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3'), antisense PNA p(GCAGCAGC), CHLORIDE ION
Authors:Kiliszek, A., Banaszak, K., Dauter, Z., Rypniewski, W.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2018-03-07
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
5EMG
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CRYSTAL STRUCTURES OF PNA P(GCTGCTGC)2 DUPLEX CONTAINING T-T MISMATCHES
Descriptor:GPN-CPN-TPN-GPN-CPN-TPN-GPN-CPN, CHLORIDE ION, SODIUM ION
Authors:Kiliszek, A., Banaszak, K., Dauter, Z., Rypniewski, W.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2016-03-09
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
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