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1A29
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BU of 1a29 by Molmil
CALMODULIN COMPLEXED WITH TRIFLUOPERAZINE (1:2 COMPLEX)
Descriptor: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CALMODULIN
Authors:Bocskei, Zs, Harmat, V, Vertessy, B.G, Ovadi, J, Naray-Szabo, G.
Deposit date:1998-01-19
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Simultaneous binding of drugs with different chemical structures to Ca2+-calmodulin: crystallographic and spectroscopic studies.
Biochemistry, 37, 1998
1SYL
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BU of 1syl by Molmil
Crystal structure of inactive mutant dUTPase complexed with substrate dUTP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G.
Deposit date:2004-04-01
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase
J.Biol.Chem., 279, 2004
3LOJ
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BU of 3loj by Molmil
Structure of Mycobacterium tuberculosis dUTPase H145A mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Leveles, I, Harmat, V, Pecsi, I, Lopata, A, Vertessy, B.G, Toth, J.
Deposit date:2010-02-04
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Aromatic stacking between nucleobase and enzyme promotes phosphate ester hydrolysis in dUTPase
Nucleic Acids Res., 38, 2010
1QIV
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BU of 1qiv by Molmil
CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD), 1:2 COMPLEX
Descriptor: CALCIUM ION, CALMODULIN, N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE
Authors:Harmat, V, Bocskei, Z.S, Vertessy, B.G, Naray-Szabo, G, Ovadi, J.
Deposit date:1999-06-17
Release date:2000-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies
J.Mol.Biol., 297, 2000
2HR6
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BU of 2hr6 by Molmil
Crystal structure of dUTPase in complex with substrate analogue dUDP and manganese
Descriptor: 1,2-ETHANEDIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G.
Deposit date:2006-07-19
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
2HRM
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BU of 2hrm by Molmil
Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase
Authors:Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G.
Deposit date:2006-07-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
6HDE
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BU of 6hde by Molmil
Structure of Escherichia coli dUTPase Q93H mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION
Authors:Benedek, A, Vertessy, B.G, Leveles, I.
Deposit date:2018-08-17
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Role of a Key Amino Acid Position in Species-Specific Proteinaceous dUTPase Inhibition.
Biomolecules, 9, 2019
4GCY
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BU of 4gcy by Molmil
Structure of Mycobacterium tuberculosis dUTPase H21W mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Toth, J, Vertessy, B.G, Leveles, I, Bendes, A.
Deposit date:2012-07-31
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:RAMD identification of substrate binding pathways to the active site of dUTPase
To be Published
4GV8
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BU of 4gv8 by Molmil
DUTPase from phage phi11 of S.aureus: visualization of the species-specific insert
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase, MAGNESIUM ION
Authors:Leveles, I, Harmat, V, Nemeth, V, Bendes, A, Szabo, J, Kadar, V, Zagyva, I, Rona, G, Toth, J, Vertessy, B.G.
Deposit date:2012-08-30
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and enzymatic mechanism of a moonlighting dUTPase
Acta Crystallogr.,Sect.D, 69, 2013
3EHW
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BU of 3ehw by Molmil
Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase
Authors:Takacs, E, Barabas, O, Vertessy, B.G.
Deposit date:2008-09-15
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site
To be Published
1QIW
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BU of 1qiw by Molmil
Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-propylenediamine (DPD)
Descriptor: CALCIUM ION, CALMODULIN, N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE
Authors:Harmat, V, Bocskei, Z.S, Vertessy, B.G, Ovadi, J, Naray-Szabo, G.
Deposit date:1999-06-17
Release date:2000-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies
J.Mol.Biol., 297, 2000
4MZ5
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BU of 4mz5 by Molmil
Structure of importin-alpha: dUTPase NLS complex
Descriptor: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, Importin subunit alpha-1
Authors:Marfori, M, Rona, G, Vertessy, B.G, Kobe, B.
Deposit date:2013-09-29
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphorylation adjacent to the nuclear localization signal of human dUTPase abolishes nuclear import: structural and mechanistic insights.
Acta Crystallogr.,Sect.D, 69, 2013
4MZ6
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BU of 4mz6 by Molmil
Structure of importin-alpha: dUTPase S11E NLS mutant complex
Descriptor: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, Importin subunit alpha-1
Authors:Marfori, M, Rona, G, Vertessy, B.G, Kobe, B.
Deposit date:2013-09-29
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Phosphorylation adjacent to the nuclear localization signal of human dUTPase abolishes nuclear import: structural and mechanistic insights.
Acta Crystallogr.,Sect.D, 69, 2013
2PY4
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BU of 2py4 by Molmil
Full length structure of the Mycobacterium tuberculosis dUTPase complexed with magnesium and alpha,beta-imido-dUTP.
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Barabas, O, Nagy, N, Takacs, E, Vertessy, B.G.
Deposit date:2007-05-15
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Active site of mycobacterial dUTPase: structural characteristics and a built-in sensor.
Biochem.Biophys.Res.Commun., 373, 2008
2HQU
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BU of 2hqu by Molmil
Human dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Barabas, O, Varga, B, Vertessy, B.G.
Deposit date:2006-07-19
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Active site closure facilitates juxtaposition of reactant atoms for initiation of catalysis by human dUTPase.
Febs Lett., 581, 2007
3H6D
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BU of 3h6d by Molmil
Structure of the mycobacterium tuberculosis DUTPase D28N mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Leveles, I, Harmat, V, Nagy, G, Takacs, E, Lopata, A, Toth, J, Vertessy, B.G.
Deposit date:2009-04-23
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct contacts between conserved motifs of different subunits provide major contribution to active site organization in human and mycobacterial dUTPases.
Febs Lett., 584, 2010
3HZA
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BU of 3hza by Molmil
Crystal structure of dUTPase H145W mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Leveles, I, Harmat, V, Pecsi, I, Toth, J, Vertessy, B.G.
Deposit date:2009-06-23
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Aromatic stacking between nucleobase and enzyme promotes phosphate ester hydrolysis in dUTPase.
Nucleic Acids Res., 38, 2010
3IF7
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BU of 3if7 by Molmil
Structure of Calmodulin complexed with its first endogenous inhibitor, sphingosylphosphorylcholine
Descriptor: 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium, CALCIUM ION, Calmodulin
Authors:Kovacs, E, Harmat, V, Toth, J, Vertessy, B.G, Modos, K, Kardos, J, Liliom, K.
Deposit date:2009-07-24
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of calmodulin binding to a signaling sphingolipid reveal new aspects of lipid-protein interactions
Faseb J., 24, 2010
3I93
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BU of 3i93 by Molmil
Crystal structure of Mycobacterium tuberculosis dUTPase STOP138T mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Leveles, I, Harmat, V, Lopata, A, Toth, J, Vertessy, B.G.
Deposit date:2009-07-10
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct contacts between conserved motifs of different subunits provide major contribution to active site organization in human and mycobacterial dUTPases.
Febs Lett., 584, 2010
3ECY
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BU of 3ecy by Molmil
Crystal structural analysis of Drosophila melanogaster dUTPase
Descriptor: CG4584-PA, isoform A (BcDNA.LD08534)
Authors:Takacs, E, Barabas, O, Vertessy, B.G.
Deposit date:2008-09-02
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Molecular shape and prominent role of beta-strand swapping in organization of dUTPase oligomers.
Febs Lett., 583, 2009
1RNJ
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BU of 1rnj by Molmil
Crystal structure of inactive mutant dUTPase complexed with substrate analogue imido-dUTP
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Barabas, O, Pongracz, V, Kovari, J, Wilmanns, M, Vertessy, B.G.
Deposit date:2003-12-01
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase.
J.Biol.Chem., 279, 2004
1RN8
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BU of 1rn8 by Molmil
Crystal structure of dUTPase complexed with substrate analogue imido-dUTP
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Barabas, O, Pongracz, V, Kovari, J, Wilmanns, M, Vertessy, B.G.
Deposit date:2003-12-01
Release date:2004-09-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase.
J.Biol.Chem., 279, 2004
1SEH
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BU of 1seh by Molmil
Crystal structure of E. coli dUTPase complexed with the product dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase
Authors:Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G.
Deposit date:2004-02-17
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase
J.Biol.Chem., 279, 2004
3TQ5
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BU of 3tq5 by Molmil
Crystal structure of M-PMV dUTPASE post-inversion product (dUMP) COMPLEX
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE
Authors:Barabas, O, Nemeth, V, Vertessy, B.G.
Deposit date:2011-09-09
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3TPS
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BU of 3tps by Molmil
Crystal structure of M-PMV dUTPASE complexed with dUPNPP substrate
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, ...
Authors:Barabas, O, Nemeth, V, Vertessy, B.G.
Deposit date:2011-09-08
Release date:2011-10-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
To be Published

 

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