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1IIQ
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BU of 1iiq by Molmil
CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR
Descriptor: GLYCEROL, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Dohnalek, J, Hasek, J, Duskova, J, Petrokova, H, Hradilek, M, Soucek, M, Konvalinka, J, Brynda, J, Sedlacek, J, Fabry, M.
Deposit date:2001-04-24
Release date:2002-04-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor.
J.Med.Chem., 45, 2002
1FQX
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BU of 1fqx by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR
Descriptor: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Dohnalek, J, Hasek, J, Duskova, J, Petrokova, H, Hradilek, M, Soucek, M, Konvalinka, J, Brynda, J, Sedlacek, J, Fabry, M.
Deposit date:2000-09-07
Release date:2001-03-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A distinct binding mode of a hydroxyethylamine isostere inhibitor of HIV-1 protease.
Acta Crystallogr.,Sect.D, 57, 2001
5FBZ
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BU of 5fbz by Molmil
Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A
Descriptor: Autoproteolytic fragment of enzyme subtilase SubHal, CALCIUM ION, Enzyme subtilase SubHal from Bacillus halmapalus, ...
Authors:Dohnalek, J, Brzozowski, A.M, Svendsen, A, Wilson, K.S.
Deposit date:2015-12-14
Release date:2016-05-18
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
Book, 2016
5FAX
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BU of 5fax by Molmil
Structure of subtilase SubHal from Bacillus halmapalus
Descriptor: CALCIUM ION, Subtilase SubHal from Bacillus halmapalus
Authors:Dohnalek, J, Brzozowski, A.M, Svendsen, A, Wilson, K.S.
Deposit date:2015-12-12
Release date:2016-05-18
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
Book, 2016
3FBW
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BU of 3fbw by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant C176Y
Descriptor: BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Dohnalek, J, Stsiapanava, A, Gavira, J.A, Kuta Smatanova, I, Kuty, M.
Deposit date:2008-11-20
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
1PGJ
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BU of 1pgj by Molmil
X-RAY STRUCTURE OF 6-PHOSPHOGLUCONATE DEHYDROGENASE FROM THE PROTOZOAN PARASITE T. BRUCEI
Descriptor: 6-PHOSPHOGLUCONATE DEHYDROGENASE, SULFATE ION
Authors:Dohnalek, J, Phillips, C, Gover, S, Barrett, M.P, Adams, M.J.
Deposit date:1998-03-16
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:A 2.8 A resolution structure of 6-phosphogluconate dehydrogenase from the protozoan parasite Trypanosoma brucei: comparison with the sheep enzyme accounts for differences in activity with coenzyme and substrate analogues.
J.Mol.Biol., 282, 1998
5FFN
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BU of 5ffn by Molmil
Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A
Descriptor: CALCIUM ION, Enzyme subtilase SubTY from Bacillus sp. TY145, SODIUM ION, ...
Authors:McAuley, K.E, Svendsen, A, Oestergaard, P.R, Dohnalek, J, Wilson, K.S.
Deposit date:2015-12-18
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
Book, 2016
3KW8
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BU of 3kw8 by Molmil
Two-domain laccase from Streptomyces coelicolor at 2.3 A resolution
Descriptor: COPPER (II) ION, FE (III) ION, Putative copper oxidase, ...
Authors:Skalova, T, Dohnalek, J, Kolenko, P, Duskova, J, Stepankova, A, Hasek, J, Ostergaard, L.H, Ostergaard, P.R.
Deposit date:2009-12-01
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 A
Acta Crystallogr.,Sect.F, 67, 2011
5MGT
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BU of 5mgt by Molmil
Complex of human NKR-P1 and LLT1 in deglycosylated forms
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, CHLORIDE ION, ...
Authors:Blaha, J, Skalova, T, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
Deposit date:2016-11-22
Release date:2018-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
5MGR
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BU of 5mgr by Molmil
Human receptor NKR-P1 in glycosylated form, extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
Deposit date:2016-11-22
Release date:2018-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
3RS1
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BU of 3rs1 by Molmil
Mouse C-type lectin-related protein Clrg
Descriptor: C-type lectin domain family 2 member I, CHLORIDE ION
Authors:Skalova, T, Dohnalek, J, Duskova, J, Stepankova, A, Koval, T, Hasek, J, Kotynkova, K, Vanek, O, Bezouska, K.
Deposit date:2011-05-02
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties.
J.Immunol., 189, 2012
3RVA
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BU of 3rva by Molmil
Crystal structure of organophosphorus acid anhydrolase from Alteromonas macleodii
Descriptor: MANGANESE (II) ION, NICKEL (II) ION, Organophosphorus acid anhydrolase, ...
Authors:Stepankova, A, Koval, T, Ostergaard, L.H, Duskova, J, Skalova, T, Hasek, J, Dohnalek, J.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Organophosphorus acid anhydrolase from Alteromonas macleodii: structural study and functional relationship to prolidases.
Acta Crystallogr.,Sect.F, 69, 2013
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
7ODU
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BU of 7odu by Molmil
Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D11, ...
Authors:Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J.
Deposit date:2021-04-30
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
To Be Published
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 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
5J2S
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BU of 5j2s by Molmil
NKR-P1B from Rattus norvegicus
Descriptor: Killer cell lectin-like receptor subfamily B member 1B allele A, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Skalova, T, Vanek, O, Blaha, J, Duskova, J, Hasek, J, Koval, T, Dohnalek, J.
Deposit date:2016-03-30
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of NKR-P1B from Rattus norvegicus
To Be Published
3G9X
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BU of 3g9x by Molmil
Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I.
Deposit date:2009-02-15
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
6OTD
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BU of 6otd by Molmil
Globin sensor domain of AfGcHK in monomeric form, with imidazole
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Globin-coupled histidine kinase, IMIDAZOLE, ...
Authors:Skalova, T, Dohnalek, J, Kolenko, P, Stranava, M, Lengalova, A, Martinkova, M.
Deposit date:2019-05-03
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Disruption of the dimerization interface of the sensing domain in the dimeric heme-based oxygen sensorAfGcHK abolishes bacterial signal transduction.
J.Biol.Chem., 295, 2020
7QTB
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BU of 7qtb by Molmil
S1 nuclease from Aspergillus oryzae in complex with cytidine-5'-monophosphate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J.
Deposit date:2022-01-14
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects.
Acta Crystallogr D Struct Biol, 78, 2022
7QTA
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BU of 7qta by Molmil
S1 nuclease from Aspergillus oryzae in complex with uridine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J.
Deposit date:2022-01-14
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects.
Acta Crystallogr D Struct Biol, 78, 2022

 

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