Author results

1A29
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CALMODULIN COMPLEXED WITH TRIFLUOPERAZINE (1:2 COMPLEX)
Descriptor:CALMODULIN, CALCIUM ION, 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
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:2011-07-13
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
1QIV
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CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD), 1:2 COMPLEX
Descriptor:CALMODULIN, CALCIUM ION, 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:2019-05-08
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
1QIW
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CALMODULIN COMPLEXED WITH N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(3,4-BIS-BUTOXYPHENYL)-ETHYL]-PROPYLENEDIAMINE (DPD)
Descriptor:CALMODULIN, CALCIUM ION, 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:2019-05-08
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
2HR6
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CRYSTAL STRUCTURE OF DUTPASE IN COMPLEX WITH SUBSTRATE ANALOGUE DUDP AND MANGANESE
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MANGANESE (II) ION, DEOXYURIDINE-5'-DIPHOSPHATE, ...
Authors:Barabas, O., Kovari, J., Tapai, R., Vertessy, B.G.
Deposit date:2006-07-19
Release date:2007-07-31
Last modified:2011-07-13
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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CRYSTAL STRUCTURE OF DUTPASE COMPLEXED WITH SUBSTRATE ANALOGUE METHYLENE-DUTP
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, 1,2-ETHANEDIOL
Authors:Barabas, O., Kovari, J., Tapai, R., Vertessy, B.G.
Deposit date:2006-07-20
Release date:2007-07-31
Last modified:2018-01-24
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
3EHW
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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:dUTP pyrophosphatase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE
Authors:Takacs, E., Barabas, O., Vertessy, B.G.
Deposit date:2008-09-15
Release date:2008-09-30
Last modified:2012-03-07
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
3TP1
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CRYSTAL STRUCTURE OF THE PRECATALYTIC M-PMV DUTPASE - SUBSTRATE (DUPNPP) COMPLEX
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, MAGNESIUM ION
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-07
Release date:2011-09-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 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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CRYSTAL STRUCTURE OF M-PMV DUTPASE COMPLEXED WITH DUPNPP SUBSTRATE
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-08
Release date:2011-10-12
Last modified:2018-01-24
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
3TPW
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CRYSTAL STRUCTURE OF M-PMV DUTPASE - DUPNPP COMPLEX REVEALING DISTORTED LIGAND GEOMETRY (APPROACH INTERMEDIATE)
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-08
Release date:2011-10-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3TPY
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CRYSTAL STRUCTURE OF M-PMV DUTPASE WITH A MIXED POPULATION OF SUBSTRATE (DUPNPP) AND POST-INVERSION PRODUCT (DUMP) IN THE ACTIVE SITES
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, MAGNESIUM ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-08
Release date:2011-10-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3TQ3
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CRYSTAL STRUCTURE OF M-PMV DUTPASE WITH A MIXED POPULATION OF SUBSTRATE (DUPNPP) AND POST-INVERSION PRODUCT (DUMP) IN THE ACTIVE SITES
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-09
Release date:2011-10-12
Last modified:2018-01-24
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
3TQ4
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CRYSTAL STRUCTURE OF M-PMV DUTPASE WITH A MIXED POPULATION OF SUBSTRATE (DUPNPP) AND POST-INVERSION PRODUCT (DUMP) IN THE ACTIVE SITES
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-09
Release date:2011-10-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3TQ5
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CRYSTAL STRUCTURE OF M-PMV DUTPASE POST-INVERSION PRODUCT (DUMP) COMPLEX
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-09
Release date:2011-10-12
Last modified:2018-01-24
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
3TRL
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CRYSTAL STRUCTURE OF M-PMV DUTPASE POST-INVERSION PRODUCT (DUMP) COMPLEX
Descriptor:DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Barabas, O., Nemeth, V., Vertessy, B.G.
Deposit date:2011-09-09
Release date:2011-10-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
To be Published
1RN8
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CRYSTAL STRUCTURE OF DUTPASE COMPLEXED WITH SUBSTRATE ANALOGUE IMIDO-DUTP
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 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:2011-07-13
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
1RNJ
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CRYSTAL STRUCTURE OF INACTIVE MUTANT DUTPASE COMPLEXED WITH SUBSTRATE ANALOGUE IMIDO-DUTP
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Barabas, O., Pongracz, V., Kovari, J., Wilmanns, M., Vertessy, B.G.
Deposit date:2003-12-01
Release date:2004-09-07
Last modified:2011-07-13
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
1SEH
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CRYSTAL STRUCTURE OF E. COLI DUTPASE COMPLEXED WITH THE PRODUCT DUMP
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Barabas, O., Kovari, J., Pongracz, V., Wilmanns, M., Vertessy, B.G.
Deposit date:2004-02-17
Release date:2004-09-07
Last modified:2017-10-11
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
1SYL
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CRYSTAL STRUCTURE OF INACTIVE MUTANT DUTPASE COMPLEXED WITH SUBSTRATE DUTP
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, DEOXYURIDINE-5'-TRIPHOSPHATE, ...
Authors:Barabas, O., Kovari, J., Pongracz, V., Wilmanns, M., Vertessy, B.G.
Deposit date:2004-04-01
Release date:2004-09-07
Last modified:2017-10-11
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
2HQU
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HUMAN DUTPASE IN COMPLEX WITH ALPHA,BETA-IMINODUTP AND MAGNESIUM ION
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Barabas, O., Varga, B., Vertessy, B.G.
Deposit date:2006-07-19
Release date:2007-07-24
Last modified:2016-10-19
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
2PY4
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FULL LENGTH STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS DUTPASE COMPLEXED WITH MAGNESIUM AND ALPHA,BETA-IMIDO-DUTP.
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Barabas, O., Nagy, N., Takacs, E., Vertessy, B.G.
Deposit date:2007-05-15
Release date:2007-05-22
Last modified:2011-07-13
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
3ECY
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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:2011-07-13
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
3H6D
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STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS DUTPASE D28N MUTANT
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
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:2011-07-13
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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CRYSTAL STRUCTURE OF DUTPASE H145W MUTANT
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Leveles, I., Harmat, V., Pecsi, I., Toth, J., Vertessy, B.G.
Deposit date:2009-06-23
Release date:2009-11-24
Last modified:2017-11-01
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
3I93
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS DUTPASE STOP138T MUTANT
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, ...
Authors:Leveles, I., Harmat, V., Lopata, A., Toth, J., Vertessy, B.G.
Deposit date:2009-07-10
Release date:2009-11-24
Last modified:2017-11-01
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
3IF7
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STRUCTURE OF CALMODULIN COMPLEXED WITH ITS FIRST ENDOGENOUS INHIBITOR, SPHINGOSYLPHOSPHORYLCHOLINE
Descriptor:Calmodulin, CALCIUM ION, 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
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:2011-07-13
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
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