8A26
 
 | | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ... | | Authors: | Diwo, M.G, Blankenfeldt, W. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
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2CIV
 | | Chloroperoxidase bromide complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CHLOROPEROXIDASE, ... | | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | | Deposit date: | 2006-03-26 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
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4X8B
 | | Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form | | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | | Authors: | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | | Deposit date: | 2014-12-10 | | Release date: | 2015-01-28 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4X8D
 | | Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine | | Descriptor: | CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ... | | Authors: | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | | Deposit date: | 2014-12-10 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4X8E
 | | Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine | | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | | Authors: | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | | Deposit date: | 2014-12-10 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5IWE
 | | E45Q mutant of phenazine biosynthesis protein PhzF in complex with (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate | | Descriptor: | (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Diederich, C, Blankenfeldt, W. | | Deposit date: | 2016-03-22 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF.
Sci Rep, 7, 2017
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5K7F
 | | Crystal structure of apo AibR | | Descriptor: | ACETATE ION, Transcriptional regulator, TetR family | | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
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2CM4
 | | The complement inhibitor OmCI in complex with ricinoleic acid | | Descriptor: | ACETATE ION, COMPLEMENT INHIBITOR, RICINOLEIC ACID | | Authors: | Roversi, P, Johnson, S, Lissina, O, Paesen, G.C, Boland, W, Nunn, M.A, Lea, S.M. | | Deposit date: | 2006-05-04 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure of Omci, a Novel Lipocalin Inhibitor of the Complement System.
J.Mol.Biol., 369, 2007
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4ZFL
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2CJ0
 | | chloroperoxidase complexed with nitrate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | | Deposit date: | 2006-03-26 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
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2CJ1
 | | chloroperoxidase complexed with formate (ethylene glycol cryoprotectant) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | | Deposit date: | 2006-03-26 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
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2CIX
 | | chloroperoxidase complexed with cyclopentanedione | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | | Deposit date: | 2006-03-26 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
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5X9O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4Q
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X9P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4M
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | | Descriptor: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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3DZL
 | | Crystal structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-3-oxocyclohexanecarboxylic acid | | Descriptor: | (1R)-3-oxocyclohexanecarboxylic acid, Phenazine biosynthesis protein A/B | | Authors: | Ahuja, E.G, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W. | | Deposit date: | 2008-07-30 | | Release date: | 2008-12-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PhzA/B Catalyzes the Formation of the Tricycle in Phenazine Biosynthesis.
J.Am.Chem.Soc., 130, 2008
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5O16
 | | Crystal structure of bifunctional dehydratase-cyclase domain in ambruticin biosynthesis | | Descriptor: | AmbC, SULFATE ION | | Authors: | Sung, K.H, Berkhan, G, Hollmann, T, Wagner, L, Hahn, F, Blankenfeldt, W. | | Deposit date: | 2017-05-18 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.745 Å) | | Cite: | Insights into the Dual Activity of a Bifunctional Dehydratase-Cyclase Domain.
Angew. Chem. Int. Ed. Engl., 57, 2018
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3B4P
 | | Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, complex with 2-(cyclohexylamino)benzoic acid | | Descriptor: | 2-(cyclohexylamino)benzoic acid, ACETATE ION, AZIDE ION, ... | | Authors: | Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W. | | Deposit date: | 2007-10-24 | | Release date: | 2008-12-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
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3UI4
 | | 0.8 A resolution crystal structure of human Parvulin 14 | | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
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3UI5
 | | Crystal structure of human Parvulin 14 | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
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3UI6
 | | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
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5X4P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 6 | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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