6ZE7
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![BU of 6ze7 by Molmil](/molmil-images/mine/6ze7) | 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
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6ZE6
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![BU of 6ze6 by Molmil](/molmil-images/mine/6ze6) | 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
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6ZE3
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![BU of 6ze3 by Molmil](/molmil-images/mine/6ze3) | 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
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6ZE4
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![BU of 6ze4 by Molmil](/molmil-images/mine/6ze4) | 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
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6ZE2
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![BU of 6ze2 by Molmil](/molmil-images/mine/6ze2) | 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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7AVR
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![BU of 7avr by Molmil](/molmil-images/mine/7avr) | The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase 1 | Authors: | Mazur, A, Kolenko, P, Prudnikova, T, Grinkevich, P, Kuta Smatanova, I. | Deposit date: | 2020-11-05 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2. Acta Crystallogr D Struct Biol, 77, 2021
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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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6I3J
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![BU of 6i3j by Molmil](/molmil-images/mine/6i3j) | 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
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6I3L
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![BU of 6i3l by Molmil](/molmil-images/mine/6i3l) | 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
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6I3K
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![BU of 6i3k by Molmil](/molmil-images/mine/6i3k) | 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
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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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6RTI
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![BU of 6rti by Molmil](/molmil-images/mine/6rti) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Kolenko, P, Barinka, C. | Deposit date: | 2019-05-24 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer. Nucleic Acids Res., 48, 2020
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4HI6
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![BU of 4hi6 by Molmil](/molmil-images/mine/4hi6) | |
4HIY
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![BU of 4hiy by Molmil](/molmil-images/mine/4hiy) | |
4HIU
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![BU of 4hiu by Molmil](/molmil-images/mine/4hiu) | |
4HIW
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![BU of 4hiw by Molmil](/molmil-images/mine/4hiw) | |
4HI5
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![BU of 4hi5 by Molmil](/molmil-images/mine/4hi5) | |
4HIT
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![BU of 4hit by Molmil](/molmil-images/mine/4hit) | |
6QQL
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![BU of 6qql by Molmil](/molmil-images/mine/6qql) | Crystal structure of Porphyromonas gingivalis glutaminyl cyclase | Descriptor: | Glutamine cyclotransferase, ZINC ION | Authors: | Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T. | Deposit date: | 2019-02-18 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.814 Å) | Cite: | Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis. J.Biol.Chem., 296, 2021
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6QRO
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![BU of 6qro by Molmil](/molmil-images/mine/6qro) | Crystal structure of Tannerella forsythia glutaminyl cyclase | Descriptor: | Glutamine cyclotransferase, SULFATE ION, ZINC ION | Authors: | Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T. | Deposit date: | 2019-02-19 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis. J.Biol.Chem., 296, 2021
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3PWC
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![BU of 3pwc by Molmil](/molmil-images/mine/3pwc) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PYH
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![BU of 3pyh by Molmil](/molmil-images/mine/3pyh) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-13 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PMJ
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![BU of 3pmj by Molmil](/molmil-images/mine/3pmj) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-17 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PM3
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![BU of 3pm3 by Molmil](/molmil-images/mine/3pm3) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-16 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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