6T7M
 
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6T60
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6T6N
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ... | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T77
 | | Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution | | Descriptor: | 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-21 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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2Q0K
 | | Oxidized thioredoxin reductase from Helicobacter pylori in complex with NADP+ | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase | | Authors: | Sandalova, T, Gustafsson, T, Lu, J, Holmgren, A, Schneider, G. | | Deposit date: | 2007-05-22 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-resolution structures of oxidized and reduced thioredoxin reductase from Helicobacter pylori.
Acta Crystallogr.,Sect.D, 63, 2007
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2Q0L
 | | Helicobacter pylori thioredoxin reductase reduced by sodium dithionite in complex with NADP+ | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase | | Authors: | Sandalova, T, Gustafsson, T, Lu, J, Holmgren, A, Schneider, G. | | Deposit date: | 2007-05-22 | | Release date: | 2007-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High-resolution structures of oxidized and reduced thioredoxin reductase from Helicobacter pylori.
Acta Crystallogr.,Sect.D, 63, 2007
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2QA1
 | | Crystal structure of PgaE, an aromatic hydroxylase involved in angucycline biosynthesis | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Koskiniemi, H, Dobritzsch, D, Metsa-Ketela, M, Kallio, P, Niemi, J, Schneider, G. | | Deposit date: | 2007-06-14 | | Release date: | 2007-08-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis
J.Mol.Biol., 372, 2007
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2QA2
 | | Crystal structure of CabE, an aromatic hydroxylase from angucycline biosynthesis, determined to 2.7 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Polyketide oxygenase CabE | | Authors: | Koskiniemi, H, Dobritzsch, D, Metsa-Ketela, M, Kallio, P, Niemi, J, Schneider, G. | | Deposit date: | 2007-06-14 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of two aromatic hydroxylases involved in the early tailoring steps of angucycline biosynthesis
J.Mol.Biol., 372, 2007
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2VHW
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2VHX
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2VBG
 | | The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION | | Authors: | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | | Deposit date: | 2007-09-12 | | Release date: | 2007-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
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2VBF
 | | The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis | | Descriptor: | BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | | Deposit date: | 2007-09-12 | | Release date: | 2007-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
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2VHY
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2VHV
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2VHZ
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2WHR
 | | Crystal structure of acetylcholinesterase in complex with K027 | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.-G, Schneider, G, Pang, Y.-P. | | Deposit date: | 2009-05-06 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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2WHP
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | Deposit date: | 2009-05-06 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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2WHQ
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin (aged) in complex with HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | Deposit date: | 2009-05-06 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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1AHJ
 | | NITRILE HYDRATASE | | Descriptor: | FE (III) ION, NITRILE HYDRATASE (SUBUNIT ALPHA), NITRILE HYDRATASE (SUBUNIT BETA) | | Authors: | Huang, W, Schneider, G, Lindqvist, Y. | | Deposit date: | 1997-04-05 | | Release date: | 1998-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of nitrile hydratase reveals a novel iron centre in a novel fold.
Structure, 5, 1997
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1A82
 | | DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH SUBSTRATES ATP AND DIAMINOPELARGONIC ACID | | Descriptor: | 7,8-DIAMINO-NONANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, DETHIOBIOTIN SYNTHETASE, ... | | Authors: | Kaeck, H, Gibson, K.J, Lindqvist, Y, Schneider, G. | | Deposit date: | 1998-03-31 | | Release date: | 1999-05-11 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Snapshot of a phosphorylated substrate intermediate by kinetic crystallography.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1B3N
 | | BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) | | Authors: | Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. | | Deposit date: | 1998-12-14 | | Release date: | 1999-04-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
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1BR9
 | | HUMAN TISSUE INHIBITOR OF METALLOPROTEINASE-2 | | Descriptor: | METALLOPROTEINASE-2 INHIBITOR | | Authors: | Tuuttila, A, Morgunova, E, Bergmann, U, Lindqvist, Y, Tryggvason, K, Schneider, G. | | Deposit date: | 1998-08-28 | | Release date: | 1999-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three-dimensional structure of human tissue inhibitor of metalloproteinases-2 at 2.1 A resolution.
J.Mol.Biol., 284, 1998
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1C2Y
 | | CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY | | Descriptor: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, PROTEIN (LUMAZINE SYNTHASE) | | Authors: | Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T. | | Deposit date: | 1999-07-27 | | Release date: | 2000-07-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly.
Protein Sci., 8, 1999
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1C41
 | | CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY | | Descriptor: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, LUMAZINE SYNTHASE, SULFATE ION | | Authors: | Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T. | | Deposit date: | 1999-08-03 | | Release date: | 2000-08-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly
Protein Sci., 8, 1999
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1CK7
 | | GELATINASE A (FULL-LENGTH) | | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN (GELATINASE A), ... | | Authors: | Morgunova, E, Tuuttila, A, Bergmann, U, Isupov, M, Lindqvist, Y, Schneider, G, Tryggvason, K. | | Deposit date: | 1999-04-28 | | Release date: | 1999-08-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human pro-matrix metalloproteinase-2: activation mechanism revealed.
Science, 284, 1999
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