8CGX
 
 | | structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using XDS | | Descriptor: | Woronin body major protein | | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8CGY
 | | Trypanosoma brucei IMP dehydrogenase (ori) crystallized in High Five cells reveals native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo; XDS processing | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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8CD5
 | | structure of HEX-1 from N. crassa crystallized in cellulo, diffracted at 100K and resolved using CrystFEL | | Descriptor: | Woronin body major protein | | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | | Deposit date: | 2023-01-30 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
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4N4Z
 | | Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. | | Deposit date: | 2013-10-08 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
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5A44
 | | Structure of Bacteriorhodopsin obtained from 20um crystals by multi crystal data collection | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, BACTERIORHODOPSIN, HEPTANE, ... | | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | | Deposit date: | 2015-06-05 | | Release date: | 2015-11-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines.
Acta Crystallogr.,Sect.D, 71, 2015
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6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-09 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FVE
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6FMZ
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,4-Bis(2-hydroxyethyl)piperazine | | Descriptor: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-02 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FTC
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-21 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FMU
 | | Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol | | Descriptor: | 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-02 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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6FVH
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6SJD
 | | ZC3H12B-ribonuclease domain bound to RNA | | Descriptor: | CACODYLATE ION, MAGNESIUM ION, Probable ribonuclease ZC3H12B, ... | | Authors: | Morgunova, E, Bourenkov, G, Taipale, J. | | Deposit date: | 2019-08-13 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Binding specificities of human RNA-binding proteins toward structured and linear RNA sequences.
Genome Res., 30, 2020
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1JNR
 | | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2001-07-25 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
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1JNZ
 | | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, SULFITE ION, ... | | Authors: | Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M, Ermler, U. | | Deposit date: | 2001-07-26 | | Release date: | 2002-03-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
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1KFU
 | | Crystal Structure of Human m-Calpain Form II | | Descriptor: | M-CALPAIN LARGE SUBUNIT, M-CALPAIN SMALL SUBUNIT | | Authors: | Strobl, S, Fernandez-Catalan, C, Braun, M, Huber, R, Masumoto, H, Nakagawa, K, Irie, A, Sorimachi, H, Bourenkow, G, Bartunik, H, Suzuki, K, Bode, W. | | Deposit date: | 2001-11-23 | | Release date: | 2001-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of calcium-free human m-calpain suggests an electrostatic switch mechanism for activation by calcium.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1BEC
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3ZLP
 | | Crystal structure of Schistosoma mansoni Peroxiredoxin 1 C48P mutant form with four decamers in the asymmetric unit | | Descriptor: | THIOREDOXIN PEROXIDASE | | Authors: | Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A. | | Deposit date: | 2013-02-04 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.515 Å) | | Cite: | Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis
J.Mol.Biol., 425, 2013
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2AYI
 | | Wild-type AmpT from Thermus thermophilus | | Descriptor: | Aminopeptidase T, ZINC ION | | Authors: | Odintsov, S.G, Sabala, I, Bourenkov, G, Rybin, V, Bochtler, M. | | Deposit date: | 2005-09-07 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Substrate Access to the Active Sites in Aminopeptidase T, a Representative of a New Metallopeptidase Clan.
J.Mol.Biol., 354, 2005
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5OLT
 | | Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium | | Descriptor: | CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION | | Authors: | Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-08 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
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4AJW
 | | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | Descriptor: | 2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Certal, V, Halley, F, Virone-Oddos, A, Delorme, C, Karlsson, A, Rak, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Carry, J.C, Abecassis, P.Y, Lejeune, P, Bonnevaux, H, Nicolas, J.P, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Below, P, Vade, I, Chatreaux, F, Lebourg, G, Pilorge, F, Angouillant-Boniface, O, Louboutin, A, Lengauer, C, Schio, L. | | Deposit date: | 2012-02-20 | | Release date: | 2012-05-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 55, 2012
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3ZL5
 | | Crystal structure of Schistosoma mansoni Peroxiredoxin I C48S mutant with one decamer in the ASU | | Descriptor: | DI(HYDROXYETHYL)ETHER, PEROXIREDOXIN I, SULFATE ION | | Authors: | Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis
J.Mol.Biol., 425, 2013
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1E6E
 | | ADRENODOXIN REDUCTASE/ADRENODOXIN COMPLEX OF MITOCHONDRIAL P450 SYSTEMS | | Descriptor: | ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mueller, J.J, Lapko, A, Bourenkov, G, Ruckpaul, K, Heinemann, U. | | Deposit date: | 2000-08-15 | | Release date: | 2001-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Adrenodoxin Reductase-Adrenodoxin Complex Structure Suggests Electron Transfer Path in Steroid Biosynthesis.
J.Biol.Chem., 276, 2001
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1ZJC
 | | Aminopeptidase S from S. aureus | | Descriptor: | COBALT (II) ION, aminopeptidase ampS | | Authors: | Odintsov, S.G, Sabala, I, Bourenkov, G, Rybin, V, Bochtler, M. | | Deposit date: | 2005-04-28 | | Release date: | 2005-06-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Staphylococcus aureus Aminopeptidase S Is a Founding Member of a New Peptidase Clan.
J.Biol.Chem., 280, 2005
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2WGR
 | | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | | Descriptor: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | | Authors: | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | | Deposit date: | 2009-04-24 | | Release date: | 2009-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
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3H4K
 | | Crystal structure of the wild type Thioredoxin glutatione reductase from Schistosoma mansoni in complex with auranofin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GOLD ION, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Miele, A.E, Boumis, G, Brunori, M, Bellelli, A. | | Deposit date: | 2009-04-20 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Inhibition of Schistosoma mansoni thioredoxin-glutathione reductase by auranofin: structural and kinetic aspects.
J.Biol.Chem., 284, 2009
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