3L2C
 
 | | Crystal Structure of the DNA Binding Domain of FOXO4 Bound to DNA | | Descriptor: | FOXO consensus binding sequence, minus strand, plus strand, ... | | Authors: | Boura, E, Silhan, J, Sulc, M, Brynda, J, Obsilova, V, Obsil, T. | | Deposit date: | 2009-12-15 | | Release date: | 2009-12-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structure of the human FOXO4-DBD-DNA complex at 1.9 A resolution reveals new details of FOXO binding to the DNA
Acta Crystallogr.,Sect.D, 66, 2010
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2R97
 | | Crystal structure of E. coli WrbA in complex with FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | | Deposit date: | 2007-09-12 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
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4NFL
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T | | Descriptor: | 1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | | Authors: | Pachl, P, Rezacova, P, Brynda, J. | | Deposit date: | 2013-10-31 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.375 Å) | | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
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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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1HC0
 | | structure of lysozyme with periodate | | Descriptor: | CHLORIDE ION, IODIDE ION, LYSOZYME C | | Authors: | Ondracek, J, Jursik, F, Brynda, J, Rezacova, P, Sedlacek, J. | | Deposit date: | 2001-04-25 | | Release date: | 2005-11-14 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Regular Arrangement of Periodates Bound to Lysozyme.
Acta Crystallogr.,Sect.D, 61, 2005
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4DY4
 | | High resolution structure of E.coli WrbA with FMN | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA | | Authors: | Kishko, I, Brynda, J, Kuta Smatanova, I, Ettrich, R, Carey, J. | | Deposit date: | 2012-02-28 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High resolution structure of E.coli WrbA with FMN
To be Published
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7BHY
 | | DNA-binding domain of DeoR in complex with the DNA operator | | Descriptor: | DNA operator - strand 1, DNA operator - strand 2, Deoxyribonucleoside regulator, ... | | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | | Deposit date: | 2021-01-11 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021
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1ZTZ
 | | Crystal structure of HIV protease- metallacarborane complex | | Descriptor: | COBALT BIS(1,2-DICARBOLLIDE), PROTEASE RETROPEPSIN, autoproteolytic tetrapeptide | | Authors: | Cigler, P, Kozisek, M, Rezacova, P, Brynda, J, Otwinowski, Z, Sedlacek, J, Bodem, J, Kraeusslich, H.-G, Kral, V, Konvalinka, J. | | Deposit date: | 2005-05-28 | | Release date: | 2005-11-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From nonpeptide toward noncarbon protease inhibitors: Metallacarboranes as specific and potent inhibitors of HIV protease
Proc.Natl.Acad.Sci.USA, 102, 2005
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7NUG
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7NUH
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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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6IAH
 | | Phosphatase Tt82 from Thermococcus thioreducens | | Descriptor: | CHLORIDE ION, Hydrolase, MAGNESIUM ION | | Authors: | Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K. | | Deposit date: | 2018-11-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity.
Acta Crystallogr D Struct Biol, 75, 2019
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5F12
 | | WrbA in complex with FMN under crystallization conditions of WrbA-FMN-BQ structure (4YQE) | | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | | Authors: | Degtjarik, O, Brynda, J, Ettrichova, O, Kuta Smatanova, I, Carey, J, Ettrich, R. | | Deposit date: | 2015-11-29 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
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8CD9
 | | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | | Authors: | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | | Deposit date: | 2023-01-30 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
To Be Published
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3FV3
 | | Secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A | | Descriptor: | GLYCEROL, SULFATE ION, Sapp1p-secreted aspartic protease 1, ... | | Authors: | Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Sieglova, I, Pichova, I, Rezacova, P. | | Deposit date: | 2009-01-15 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structure of the secreted aspartic protease 1 from Candida parapsilosis in complex with pepstatin A
J.Struct.Biol., 167, 2009
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2RG1
 | | Crystal structure of E. coli WrbA apoprotein | | Descriptor: | CHLORIDE ION, Flavoprotein WrbA | | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Lapkouski, M, Mesters, J.R, Grandori, R, Carey, J. | | Deposit date: | 2007-10-02 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
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3GGU
 | | HIV PR drug resistant patient's variant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Saskova, K.G, Brynda, J, Rezacova, P. | | Deposit date: | 2009-03-02 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir.
J.Virol., 83, 2009
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7OYK
 | | DNA-binding domain of CggR in complex with the DNA operator | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Central glycolytic genes regulator, ... | | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-11-10 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021
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4I05
 | | Structure of intermediate processing form of cathepsin B1 from Schistosoma mansoni | | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2012-11-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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4I04
 | | Structure of zymogen of cathepsin B1 from Schistosoma mansoni | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family) | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2012-11-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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4I07
 | | Structure of mature form of cathepsin B1 from Schistosoma mansoni | | Descriptor: | ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family) | | Authors: | Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. | | Deposit date: | 2012-11-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
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2RKF
 | | HIV-1 PR resistant mutant + LPV | | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ... | | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J. | | Deposit date: | 2007-10-16 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008
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2RKG
 | | HIV-1 PR resistant mutant + LPV | | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | | Deposit date: | 2007-10-16 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008
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3ZHO
 | | X-ray structure of E.coli Wrba in complex with FMN at 1.2 A resolution | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOPROTEIN WRBA | | Authors: | Kishko, I, Lapkouski, M, Brynda, J, Kuty, M, Carey, J, Smatanova, I.K, Ettrich, R. | | Deposit date: | 2012-12-23 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 1.2 A Resolution Crystal Structure of Escherichia Coli Wrba Holoprotein
Acta Crystallogr.,Sect.D, 69, 2013
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2HKH
 | | Crystal structure of the Fab M75 | | Descriptor: | GLYCEROL, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | | Authors: | Kral, V, Mader, P, Stouracova, R, Fabry, M, Sedlacek, J, Brynda, J. | | Deposit date: | 2006-07-04 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
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