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3O8N
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Structure of phosphofructokinase from rabbit skeletal muscle
分子名称: 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ...
著者Banaszak, K, Chang, S.H, Rypniewski, W.
登録日2010-08-03
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
3O8L
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Structure of phosphofructokinase from rabbit skeletal muscle
分子名称: 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ...
著者Banaszak, K, Chang, S.H, Rypniewski, W.
登録日2010-08-03
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase subunit alpha, ...
著者Banaszak, K, Mechin, I, Kopperschlager, G, Rypniewski, W.
登録日2010-08-03
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
3TJ9
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BU of 3tj9 by Molmil
Crystal structure of Helicobacter pylori UreE bound to Zn2+
分子名称: FORMIC ACID, Urease accessory protein ureE, ZINC ION
著者Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S.
登録日2011-08-24
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.521 Å)
主引用文献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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Crystal structure of Helicobacter pylori UreE bound to Ni2+
分子名称: FORMIC ACID, NICKEL (II) ION, Urease accessory protein ureE
著者Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S.
登録日2011-08-24
公開日2011-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献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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BU of 3tja by Molmil
Crystal structure of Helicobacter pylori UreE in the apo form
分子名称: CHLORIDE ION, SULFATE ION, Urease accessory protein ureE
著者Banaszak, K, Bellucci, M, Zambelli, B, Rypniewski, W.R, Ciurli, S.
登録日2011-08-24
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: Thiol:disulfide interchange protein dsbC
著者Banaszak, K, Mechin, I, Frost, G, Rypniewski, W.
登録日2004-06-04
公開日2004-10-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the reduced disulfide-bond isomerase DsbC from Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
6HVI
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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2
分子名称: 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, ...
著者Banaszak, K, Sowinska, M, Gondela, A, Fabritius, C.H, Nowak, M.
登録日2018-10-11
公開日2018-11-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
6IBZ
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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7
分子名称: 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, ...
著者Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M.
登録日2018-12-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献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
分子名称: 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, ...
著者Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-12-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献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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Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5
分子名称: 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, ...
著者Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-12-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6HVH
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BU of 6hvh by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1
分子名称: 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, ...
著者Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-10-11
公開日2018-11-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献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
分子名称: 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, ...
著者Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-10-11
公開日2018-11-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
6IC0
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BU of 6ic0 by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4
分子名称: 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, ...
著者Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-12-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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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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
分子名称: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
著者Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
登録日2012-05-02
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
4XW0
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BU of 4xw0 by Molmil
Crystal structure of (GCCU(G-LNA)CCUGC)2 duplex
分子名称: RNA (5'-R(*GP*CP*CP*UP*(LCG)P*CP*CP*UP*GP*C)-3'), SULFATE ION
著者Kiliszek, A, Banaszak, K, Rypniewski, W.
登録日2015-01-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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
分子名称: RNA (5'-R(*GP*CP*CP*UP*(LCG)P*CP*CP*UP*G)-3')
著者Kiliszek, A, Banaszak, K, Rypniewski, W.
登録日2015-01-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W.
登録日2017-04-12
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
5EME
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BU of 5eme by Molmil
Complex of RNA r(GCAGCAGC) with antisense PNA p(CTGCTGC)
分子名称: Antisense PNA strand, CHLORIDE ION, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
著者Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
登録日2015-11-06
公開日2016-01-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献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)
分子名称: CHLORIDE ION, RNA (5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3'), antisense PNA p(GCAGCAGC)
著者Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
登録日2015-11-06
公開日2016-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献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
分子名称: CHLORIDE ION, GPN-CPN-TPN-GPN-CPN-TPN-GPN-CPN, SODIUM ION
著者Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
登録日2015-11-06
公開日2016-01-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献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
4ISW
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BU of 4isw by Molmil
Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
登録日2013-01-17
公開日2013-12-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
4IRR
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BU of 4irr by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase
著者Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
登録日2013-01-15
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
4IQB
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High Resolution Crystal Structure of C.elegans Thymidylate Synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
登録日2013-01-11
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献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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Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+
分子名称: NICKEL (II) ION, Urease accessory protein UreE, ZINC ION
著者Zambelli, B, Banaszak, K, Merloni, A, Kiliszek, A, Rypniewski, W.R, Ciurli, S.
登録日2013-06-06
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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

 

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