6YKD
 
 | | Human Pim-1 kinase in complex with an inhibitor identified by virtual screening | | Descriptor: | ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | | Authors: | Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors.
Mol Inform, 39, 2020
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8QZY
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5A6N
 | | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 | | Descriptor: | 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... | | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | Deposit date: | 2015-06-30 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5A6O
 | | Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3) | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL | | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | Deposit date: | 2015-06-30 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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9F92
 | | Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-nitrobenzoic acid | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-azanyl-3-nitro-benzoic acid, SULFATE ION, ... | | Authors: | Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C. | | Deposit date: | 2024-05-07 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
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9F96
 | | Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-ethoxybenzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-3-ethoxy-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase | | Authors: | Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C. | | Deposit date: | 2024-05-07 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
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9F93
 | | Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(4-fluorophenyl)benzoic acid | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-azanyl-5-(4-fluorophenyl)benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase | | Authors: | Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C. | | Deposit date: | 2024-05-07 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
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9F94
 | | Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(3-hydroxyphenyl)benzoic acid | | Descriptor: | 2-azanyl-5-(3-hydroxyphenyl)benzoic acid, ACETATE ION, FORMIC ACID, ... | | Authors: | Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C. | | Deposit date: | 2024-05-07 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
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9F95
 | | Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid | | Descriptor: | 2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase | | Authors: | Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C. | | Deposit date: | 2024-05-07 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
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1LYC
 | | The impact of the physical and chemical enviroment on the molecular structure of Coprinus cinereus peroxidase | | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Houborg, K, Harris, P, Petersen, J.F.W, Rowland, P, Poulsen, J.-C.N, Schneider, P, Vind, J, Larsen, S. | | Deposit date: | 2002-06-07 | | Release date: | 2002-06-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Impact of the physical and chemical environment on the molecular structure of Coprinus cinereus peroxidase.
Acta Crystallogr.,Sect.D, 59, 2003
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1LYK
 | | THE IMPACT OF THE PHYSICAL AND CHEMICAL ENVIROMENT ON THE MOLECULAR STRUCTURE OF COPRINUS CINEREUS PEROXIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Houborg, K, Harris, P, Petersen, J.F.W, Rowland, P, Poulsen, J.-C.N, Schneider, P, Vind, J, Larsen, S. | | Deposit date: | 2002-06-07 | | Release date: | 2002-06-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Impact of the physical and chemical environment on the molecular structure of Coprinus cinereus peroxidase.
Acta Crystallogr.,Sect.D, 59, 2003
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1LY9
 | | The impact of the physical and chemical environment on the molecular structure of Coprinus cinereus peroxidase | | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Houborg, K, Harris, P, Petersen, J.F.W, Rowland, P, Poulsen, J.-C.N, Schneider, P, Vind, J, Larsen, S. | | Deposit date: | 2002-06-07 | | Release date: | 2002-06-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Impact of the physical and chemical environment on the molecular structure of Coprinus cinereus peroxidase.
Acta Crystallogr.,Sect.D, 59, 2003
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2XZ7
 | | CRYSTAL STRUCTURE OF THE PHOSPHOENOLPYRUVATE-BINDING DOMAIN OF ENZYME I IN COMPLEX WITH PHOSPHOENOLPYRUVATE FROM THE THERMOANAEROBACTER TENGCONGENSIS PEP-SUGAR PHOSPHOTRANSFERASE SYSTEM (PTS) | | Descriptor: | MAGNESIUM ION, PHOSPHOENOLPYRUVATE, PHOSPHOENOLPYRUVATE-PROTEIN KINASE (PTS SYSTEM EI COMPONENT IN BACTERIA) | | Authors: | Waltersperger, S.M, Oberholzer, A.E, Schneider, P, Baumann, U, Erni, B. | | Deposit date: | 2010-11-23 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Phosphoenolpyruvate: Sugar Phosphotransferase System from the Hyperthermophilic Thermoanaerobacter Tengcongensis.
Biochemistry, 50, 2011
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2XZ9
 | | CRYSTAL STRUCTURE FROM THE PHOSPHOENOLPYRUVATE-BINDING DOMAIN OF ENZYME I IN COMPLEX WITH PYRUVATE FROM THE THERMOANAEROBACTER TENGCONGENSIS PEP-SUGAR PHOSPHOTRANSFERASE SYSTEM (PTS) | | Descriptor: | MAGNESIUM ION, PHOSPHOENOLPYRUVATE-PROTEIN KINASE (PTS SYSTEM EI COMPONENT IN BACTERIA), PYRUVIC ACID | | Authors: | Oberholzer, A.E, Waltersperger, S.M, Schneider, P, Baumann, U, Erni, B. | | Deposit date: | 2010-11-24 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.677 Å) | | Cite: | Phosphoenolpyruvate: Sugar Phosphotransferase System from the Hyperthermophilic Thermoanaerobacter Tengcongensis.
Biochemistry, 50, 2011
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1LY8
 | | The crystal structure of a mutant enzyme of Coprinus cinereus peroxidase provides an understanding of its increased thermostability and insight into modelling of protein structures | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Houborg, K, Harris, P, Poulsen, J.-C.N, Svendsen, A, Schneider, P, Larsen, S. | | Deposit date: | 2002-06-07 | | Release date: | 2002-06-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The structure of a mutant enzyme of Coprinus cinereus peroxidase provides an understanding of its increased thermostability.
Acta Crystallogr.,Sect.D, 59, 2003
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2WQD
 | | Crystal structure of enzyme I of the phosphoenolpyruvate:sugar phosphotransferase system in the dephosphorylated state | | Descriptor: | CALCIUM ION, PHOSPHOENOLPYRUVATE-PROTEIN PHOSPHOTRANSFERASE | | Authors: | Oberholzer, A.E, Schneider, P, Siebold, C, Baumann, U, Erni, B. | | Deposit date: | 2009-08-19 | | Release date: | 2009-10-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Enzyme I of the Phosphoenolpyruvate:Sugar Phosphotransferase System in the Dephosphorylated State.
J.Biol.Chem., 284, 2009
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4ZCH
 | | Single-chain human APRIL-BAFF-BAFF Heterotrimer | | Descriptor: | TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B | | Authors: | Lammens, A, Jiang, X, Maskos, K, Schneider, P. | | Deposit date: | 2015-04-16 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties.
J.Biol.Chem., 290, 2015
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6FXN
 | | Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | | Deposit date: | 2018-03-09 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
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2KN1
 | | Solution NMR Structure of BCMA | | Descriptor: | Tumor necrosis factor receptor superfamily member 17 | | Authors: | Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S. | | Deposit date: | 2009-08-11 | | Release date: | 2011-02-23 | | Last modified: | 2013-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
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2KMZ
 | | NMR Structure of hFn14 | | Descriptor: | Tumor necrosis factor receptor superfamily member 12A | | Authors: | Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S. | | Deposit date: | 2009-08-10 | | Release date: | 2011-06-29 | | Last modified: | 2013-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
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2KN0
 | | Solution NMR Structure of xenopus Fn14 | | Descriptor: | Fn14 | | Authors: | Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S. | | Deposit date: | 2009-08-11 | | Release date: | 2011-06-29 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
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2BG5
 | | Crystal Structure of the Phosphoenolpyruvate-binding Enzyme I-Domain from the Thermoanaerobacter tengcongensis PEP: Sugar Phosphotransferase System (PTS) | | Descriptor: | PHOSPHOENOLPYRUVATE-PROTEIN KINASE | | Authors: | Oberholzer, A.E, Bumann, M, Schneider, P, Baechler, C, Siebold, C, Baumann, U, Erni, B. | | Deposit date: | 2004-12-17 | | Release date: | 2005-02-02 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure of the Phosphoenolpyruvate-Binding Enzyme I-Domain from the Thermoanaerobacter Tengcongensis Pep: Sugar Phosphotransferase System (Pts)
J.Mol.Biol., 346, 2005
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2BTD
 | | Crystal structure of DhaL from E. coli | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PTS-DEPENDENT DIHYDROXYACETONE KINASE | | Authors: | Oberholzer, A.E, Schneider, P, Bachler, C, Baumann, U, Erni, B. | | Deposit date: | 2005-05-27 | | Release date: | 2006-06-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Nucleotide-Binding Subunit Dhal of the Escherichia Coli Dihydroxyacetone Kinase.
J.Mol.Biol., 359, 2006
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8PBO
 | | Deep interactome learning for generative drug design | | Descriptor: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Hakansson, M, Focht, D, Atz, K, Schneider, G. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Prospective de novo drug design with deep interactome learning.
Nat Commun, 15, 2024
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5MXT
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