8OFG
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3UUZ
| Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-29 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 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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4RLE
| Crystal structure of the c-di-AMP binding PII-like protein DarA | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, NICKEL (II) ION, Uncharacterized protein YaaQ | Authors: | Dickmanns, A, Neumann, P, Ficner, R. | Deposit date: | 2014-10-16 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Identification, Characterization, and Structure Analysis of the Cyclic di-AMP-binding PII-like Signal Transduction Protein DarA. J.Biol.Chem., 290, 2015
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3C3Y
| Crystal Structure of PFOMT, Phenylpropanoid and Flavonoid O-methyltransferase from M. crystallinum | Descriptor: | CALCIUM ION, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Kopycki, J.G, Rauh, D, Neumann, P, Stubbs, M.T. | Deposit date: | 2008-01-29 | Release date: | 2008-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | Biochemical and Structural Analysis of Substrate Promiscuity in Plant Mg(2+)-Dependent O-Methyltransferases J.Mol.Biol., 378, 2008
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2RFM
| Structure of a Thermophilic Ankyrin Repeat Protein | Descriptor: | 1,3-BUTANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Loew, C, Weininger, U, Neumann, P, Stubbs, M.T, Balbach, J. | Deposit date: | 2007-10-01 | Release date: | 2008-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into an equilibrium folding intermediate of an archaeal ankyrin repeat protein Proc.Natl.Acad.Sci.Usa, 105, 2008
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6RM8
| Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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5O5S
| X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli | Descriptor: | MALONATE ION, RNase adapter protein RapZ | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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6YJ8
| DarB-APO | Descriptor: | ACETATE ION, CBS domain-containing protein YkuL, DI(HYDROXYETHYL)ETHER | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | Deposit date: | 2020-04-02 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | DarB from B. subtilis To Be Published
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6YJA
| DarB fom B. subtilis in complex with c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CALCIUM ION, CBS domain-containing protein YkuL, ... | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | Deposit date: | 2020-04-02 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | DarB from B. subtilis To Be Published
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8OFH
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3V0X
| Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-12-09 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bovine trypsin variants X(tripleGlu217Phe227) in complexes with small molecule inhibitor To be Published
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4B1T
| Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-12 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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6FDF
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4IA6
| Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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6H45
| crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, BROMIDE ION, CHLORIDE ION, ... | Authors: | Johannsson, S, Neumann, P, Ficner, R. | Deposit date: | 2018-07-20 | Release date: | 2018-09-05 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1. Biomolecules, 8, 2018
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6HVL
| CdaA complex with c-di-AMP and AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE MONOPHOSPHATE, COBALT (II) ION, ... | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | Deposit date: | 2018-10-11 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of the c-di-AMP-synthesizing enzyme CdaA. J.Biol.Chem., 294, 2019
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4IA5
| Hydratase from Lactobacillus acidophilus - SeMet derivative (apo LAH) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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6H42
| crystal structure of the human TGT catalytic subunit QTRT1 | Descriptor: | BROMIDE ION, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Johannsson, S, Neumann, P, Ficner, R. | Deposit date: | 2018-07-20 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1. Biomolecules, 8, 2018
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4JQ9
| Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex | Descriptor: | CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K. | Deposit date: | 2013-03-20 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex TO BE PUBLISHED
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6RM9
| Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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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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6RGO
| Complex of KlAtg21 with coiled-coil of AgAtg16 | Descriptor: | Autophagy protein 16, Autophagy-related protein 21 | Authors: | Thumm, M, Neumann, P. | Deposit date: | 2019-04-17 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.701 Å) | Cite: | Atg21 organizes Atg8 lipidation at the contact of the vacuole with the phagophore. Autophagy, 2020
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4B2C
| Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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6RMC
| Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ... | Authors: | Hamann, F, Neumann, P, Schmitt, A, Ficner, R. | Deposit date: | 2019-05-06 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2. Proc.Natl.Acad.Sci.USA, 117, 2020
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3PWB
| Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 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 (1.63 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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