1FQX
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![BU of 1fqx by Molmil](/molmil-images/mine/1fqx) | 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
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1PGJ
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![BU of 1pgj by Molmil](/molmil-images/mine/1pgj) | 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
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1IIQ
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![BU of 1iiq by Molmil](/molmil-images/mine/1iiq) | 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
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3FBW
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![BU of 3fbw by Molmil](/molmil-images/mine/3fbw) | 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
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5FAX
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![BU of 5fax by Molmil](/molmil-images/mine/5fax) | |
5FBZ
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![BU of 5fbz by Molmil](/molmil-images/mine/5fbz) | 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
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2RGS
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![BU of 2rgs by Molmil](/molmil-images/mine/2rgs) | FC-fragment of monoclonal antibody IGG2B from Mus musculus | Descriptor: | Ig gamma-2B heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kolenko, P, Duskova, J, Skalova, T, Dohnalek, J, Hasek, J. | Deposit date: | 2007-10-05 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | New insights into intra- and intermolecular interactions of immunoglobulins: crystal structure of mouse IgG2b-Fc at 2.1-A resolution Immunology, 126, 2008
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6EJS
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![BU of 6ejs by Molmil](/molmil-images/mine/6ejs) | |
8OUQ
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![BU of 8ouq by Molmil](/molmil-images/mine/8ouq) | Clr-11 from Rattus norvegicus | Descriptor: | 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: | 2023-04-24 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Clr-11 from Rattus norvegicus To Be Published
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7ODU
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![BU of 7odu by Molmil](/molmil-images/mine/7odu) | 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
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5J2S
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![BU of 5j2s by Molmil](/molmil-images/mine/5j2s) | 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
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7QTB
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![BU of 7qtb by Molmil](/molmil-images/mine/7qtb) | 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
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7QTA
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![BU of 7qta by Molmil](/molmil-images/mine/7qta) | 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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6OTD
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![BU of 6otd by Molmil](/molmil-images/mine/6otd) | 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
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3KW8
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![BU of 3kw8 by Molmil](/molmil-images/mine/3kw8) | 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
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7AA2
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![BU of 7aa2 by Molmil](/molmil-images/mine/7aa2) | Chaetomium thermophilum FAD-dependent oxidoreductase in complex with ABTS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, ... | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 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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1SP5
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![BU of 1sp5 by Molmil](/molmil-images/mine/1sp5) | Crystal structure of HIV-1 protease complexed with a product of autoproteolysis | Descriptor: | 5-mer peptide from Protease, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Vondrackova, E, Hasek, J, Jaskolski, M, Rezacova, P, Dohnalek, J, Skalova, T, Petrokova, H, Duskova, J, Brynda, J, Sedlacek, J. | Deposit date: | 2004-03-16 | Release date: | 2005-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Product of enzymatic self-cleavage bound in the active site of HIV protease To be Published
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4JDG
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![BU of 4jdg by Molmil](/molmil-images/mine/4jdg) | 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
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3M9Z
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![BU of 3m9z by Molmil](/molmil-images/mine/3m9z) | Crystal Structure of extracellular domain of mouse NKR-P1A | Descriptor: | Killer cell lectin-like receptor subfamily B member 1A, PHOSPHATE ION | Authors: | Kolenko, P, Rozbesky, D, Bezouska, K, Hasek, J, Dohnalek, J. | Deposit date: | 2010-03-23 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular architecture of mouse activating NKR-P1 receptors. J.Struct.Biol., 175, 2011
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4DJ4
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![BU of 4dj4 by Molmil](/molmil-images/mine/4dj4) | X-ray structure of mutant N211D of bifunctional nuclease TBN1 from Solanum lycopersicum (Tomato) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Nuclease, ... | Authors: | Koval, T, Stepankova, A, Lipovova, P, Podzimek, T, Matousek, J, Duskova, J, Skalova, T, Hasek, J, Dohnalek, J. | Deposit date: | 2012-02-01 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Plant multifunctional nuclease TBN1 with unexpected phospholipase activity: structural study and reaction-mechanism analysis. Acta Crystallogr.,Sect.D, 69, 2013
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3CG8
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![BU of 3cg8 by Molmil](/molmil-images/mine/3cg8) | Laccase from Streptomyces coelicolor | Descriptor: | COPPER (II) ION, OXYGEN ATOM, TETRAETHYLENE GLYCOL, ... | Authors: | Skalova, T, Dohnalek, J, Ostergaard, L.H, Ostergaard, P.R, Kolenko, P, Duskova, J, Hasek, J. | Deposit date: | 2008-03-05 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.679 Å) | Cite: | The Structure of the Small Laccase from Streptomyces coelicolor Reveals a Link between Laccases and Nitrite Reductases. J.Mol.Biol., 385, 2009
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8AQ8
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![BU of 8aq8 by Molmil](/molmil-images/mine/8aq8) | FAD-dependent monooxygenase from Stenotrophomonas maltophilia | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maly, M, Kolenko, P, Duskova, J, Skalova, T, Dohnalek, J. | Deposit date: | 2022-08-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tetracycline-modifying enzyme SmTetX from Stenotrophomonas maltophilia. Acta Crystallogr.,Sect.F, 79, 2023
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6TVK
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![BU of 6tvk by Molmil](/molmil-images/mine/6tvk) | Alpha-L-fucosidase isoenzyme 2 from Paenibacillus thiaminolyticus | Descriptor: | Alpha-L-fucosidase, GLYCEROL, HEXATANTALUM DODECABROMIDE, ... | Authors: | Kovalova, T, Koval, T, Lipovova, P, Dohnalek, J. | Deposit date: | 2020-01-09 | Release date: | 2021-07-21 | Last modified: | 2022-05-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The first structure-function study of GH151 alpha-l-fucosidase uncovers new oligomerization pattern, active site complementation, and selective substrate specificity Febs J., 2022
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5MGR
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![BU of 5mgr by Molmil](/molmil-images/mine/5mgr) | 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
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5MGT
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![BU of 5mgt by Molmil](/molmil-images/mine/5mgt) | 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
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