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1ZSF
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BU of 1zsf by Molmil
Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution
Descriptor: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
Deposit date:2005-05-24
Release date:2006-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
1ZSR
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BU of 1zsr by Molmil
Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J.
Deposit date:2005-05-24
Release date:2006-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
1ZJ7
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BU of 1zj7 by Molmil
Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J.
Deposit date:2005-04-28
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49, 2006
1ZLF
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BU of 1zlf by Molmil
Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor
Descriptor: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J.
Deposit date:2005-05-06
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49, 2006
1ZPK
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BU of 1zpk by Molmil
Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ...
Authors:Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
Deposit date:2005-05-17
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures
To be Published
1Z8C
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BU of 1z8c by Molmil
Crystal structure of the complex of mutant HIV-1 protease (l63P, A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, SULFATE ION
Authors:Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
Deposit date:2005-03-30
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures
To be Published
1ZBG
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BU of 1zbg by Molmil
Crystal structure of a complex of mutant hiv-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ...
Authors:Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
Deposit date:2005-04-08
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures
To be Published
1YQ2
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BU of 1yq2 by Molmil
beta-galactosidase from Arthrobacter sp. C2-2 (isoenzyme C2-2-1)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Skalova, T, Dohnalek, J, Spiwok, V, Lipovova, P, Vondrackova, E, Petrokova, H, Strnad, H, Kralova, B, Hasek, J.
Deposit date:2005-02-01
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cold-active beta-Galactosidase from Arthrobacter sp. C2-2 Forms Compact 660kDa Hexamers: Crystal Structure at 1.9A Resolution
J.Mol.Biol., 353, 2005
5FBA
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BU of 5fba by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FBD
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BU of 5fbd by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate and 2'-deoxycytidine
Descriptor: 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FBB
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BU of 5fbb by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FBG
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BU of 5fbg by Molmil
S1 nuclease from Aspergillus oryzae, mutant D65N, in complex with phosphate, 2'-deoxycytidine and 2'-deoxyguanosine.
Descriptor: 2'-DEOXY-GUANOSINE, 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
4JDG
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BU of 4jdg by Molmil
Structure of Tomato Bifunctional Nuclease TBN1, variant N211D
Descriptor: Nuclease, PHOSPHATE ION, ZINC ION, ...
Authors:Stransky, J, Dohnalek, J, Koval, T, Podzimek, T, Lipovova, P, Matousek, J.
Deposit date:2013-02-25
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Phosphate binding in the active centre of tomato multifunctional nuclease TBN1 and analysis of superhelix formation by the enzyme
Acta Crystallogr.,Sect.F, 71, 2015
5FB9
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BU of 5fb9 by Molmil
S1 nuclease from Aspergillus oryzae with unoccupied active site
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FBC
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BU of 5fbc by Molmil
S1 nuclease from Aspergillus oryzae in complex with 2'-deoxyadenosine-5'-thio-monophosphate (5'dAMP(S)).
Descriptor: 2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FBF
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BU of 5fbf by Molmil
S1 nuclease from Aspergillus oryzae in complex with two molecules of 2'-deoxycytidine-5'-monophosphate
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
6I3K
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BU of 6i3k by Molmil
Bilirubin oxidase from Myrothecium verrucaria, mutant W396A in complex with ferricyanide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ...
Authors:Koval, T, Svecova, L, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J.
Deposit date:2018-11-06
Release date:2019-10-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
6I3J
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BU of 6i3j by Molmil
Bilirubin oxidase from Myrothecium verrucaria in complex with ferricyanide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, CHLORIDE ION, ...
Authors:Svecova, L, Koval, T, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J.
Deposit date:2018-11-06
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
6I3L
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BU of 6i3l by Molmil
Bilirubin oxidase from Myrothecium verrucaria, mutant W396F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ...
Authors:Koval, T, Svecova, L, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J.
Deposit date:2018-11-06
Release date:2019-10-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
6ZE5
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BU of 6ze5 by Molmil
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine
Descriptor: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-06-16
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
6ZE6
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BU of 6ze6 by Molmil
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-nitrocatechol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-NITROCATECHOL, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-06-16
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
6ZE7
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BU of 6ze7 by Molmil
Chaetomium thermophilum FAD-dependent oxidoreductase in complex with 4-nitrophenol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-06-16
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
6ZE3
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BU of 6ze3 by Molmil
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment (4-methoxycarbonylphenyl)methylazanium
Descriptor: (4-methoxycarbonylphenyl)methylazanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-06-16
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
6ZE4
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BU of 6ze4 by Molmil
FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-06-16
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
6ZE2
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BU of 6ze2 by Molmil
FAD-dependent oxidoreductase from Chaetomium thermophilum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-06-16
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021

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