7ZX5
| I567T Mutant of Recombinant CODH-II | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Basak, Y, Jeoung, J.H, Dobbek, H. | Deposit date: | 2022-05-20 | Release date: | 2023-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | Substrate Activation at the Ni,Fe Cluster of CO Dehydrogenases: The Influence of the Protein Matrix Acs Catalysis, 2022
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7ZXL
| H93A Mutant of Recombinant CODH-II | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | Deposit date: | 2022-05-21 | Release date: | 2023-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Substrate Activation at the Ni,Fe Cluster of CO Dehydrogenases: The Influence of the Protein Matrix Acs Catalysis, 2022
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1U8V
| Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gamma-aminobutyrate metabolism dehydratase/isomerase, IRON/SULFUR CLUSTER | Authors: | Martins, B.M, Dobbek, H, Cinkaya, I, Buckel, W, Messerschmidt, A. | Deposit date: | 2004-08-07 | Release date: | 2004-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of 4-hydroxybutyryl-CoA dehydratase: radical catalysis involving a [4Fe-4S] cluster and flavin. Proc.Natl.Acad.Sci.USA, 101, 2004
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4C1N
| Corrinoid protein reactivation complex with activator | Descriptor: | CARBON MONOXIDE DEHYDROGENASE CORRINOID/IRON-SULFUR PROTEIN, GAMMA SUBUNIT, CO DEHYDROGENASE/ACETYL-COA SYNTHASE, ... | Authors: | Hennig, S.E, Goetzl, S, Jeoung, J.H, Bommer, M, Lendzian, F, Hildebrandt, P, Dobbek, H. | Deposit date: | 2013-08-13 | Release date: | 2014-08-13 | Last modified: | 2014-08-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | ATP-Induced Electron Transfer by Redox-Selective Partner Recognition Nat.Commun., 5, 2014
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4EHU
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1T3Q
| Crystal structure of quinoline 2-Oxidoreductase from Pseudomonas Putida 86 | Descriptor: | DIOXOSULFIDOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bonin, I, Martins, B.M, Purvanov, V, Fetzner, S, Huber, R, Dobbek, H. | Deposit date: | 2004-04-27 | Release date: | 2004-09-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Active site geometry and substrate recognition of the molybdenum hydroxylase quinoline 2-oxidoreductase. STRUCTURE, 12, 2004
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4EIA
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4EHT
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4EO0
| crystal structure of the pilus binding domain of the filamentous phage IKe | Descriptor: | Attachment protein G3P | Authors: | Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X. | Deposit date: | 2012-04-13 | Release date: | 2012-05-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural and energetic basis of infection by the filamentous bacteriophage IKe. Mol.Microbiol., 84, 2012
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4EMI
| Toluene dioxygenase reductase in reduced state in complex with NAD+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TodA | Authors: | Lin, T.Y, Werther, T, Jeoung, J.H, Dobbek, H. | Deposit date: | 2012-04-12 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.806 Å) | Cite: | Suppression of Electron Transfer to Dioxygen by Charge Transfer and Electron Transfer Complexes in the FAD-dependent Reductase Component of Toluene Dioxygenase. J.Biol.Chem., 287, 2012
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7NYS
| monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the Ni proximal of cluster A | Descriptor: | $l^{3}-oxidanylidynemethylnickel, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CHLORIDE ION, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7NZ5
| monomeric acetyl-CoA synthase with Zn at the proximal position of cluster A | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CITRIC ACID, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7NYP
| monomeric acetyl-CoA synthase in closed conformation | Descriptor: | 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CO-methylating acetyl-CoA synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7O0D
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3L5L
| Xenobiotic Reductase A - oxidized | Descriptor: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-22 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L68
| Xenobiotic Reductase A - C25S variant with coumarin | Descriptor: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-23 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L66
| Xenobiotic Reductase A - C25A Variant with Coumarin | Descriptor: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-23 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L5M
| Xenobiotic reductase A - coumarin bound | Descriptor: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-22 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L67
| Xenobiotic reductase A - C25S variant | Descriptor: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-23 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3L65
| Xenobiotic Reductase A - C25A Mutant | Descriptor: | (R,R)-2,3-BUTANEDIOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2009-12-23 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study J.Mol.Biol., 398, 2010
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3O3N
| (R)-2-hydroxyisocaproyl-CoA dehydratase in complex with its substrate (R)-2-hydroxyisocaproyl-CoA | Descriptor: | HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate, ... | Authors: | Knauer, S.H, Buckel, W, Dobbek, H. | Deposit date: | 2010-07-25 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase. J.Am.Chem.Soc., 133, 2011
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3O3M
| (R)-2-Hydroxyisocaproyl-CoA Dehydratase | Descriptor: | HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Knauer, S.H, Buckel, W, Dobbek, H. | Deposit date: | 2010-07-25 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase. J.Am.Chem.Soc., 133, 2011
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3O3O
| (R)-2-hydroxyisocaproyl-CoA dehydratase in complex with (R)-2-hydroxyisocaproate | Descriptor: | (2R)-2-hydroxy-4-methylpentanoic acid, HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, ... | Authors: | Knauer, S.H, Buckel, W, Dobbek, H. | Deposit date: | 2010-07-25 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase. J.Am.Chem.Soc., 133, 2011
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3N19
| XenA - reduced | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, SULFATE ION, Xenobiotic reductase A | Authors: | Spiegelhauer, O, Dobbek, H. | Deposit date: | 2010-05-15 | Release date: | 2010-09-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Determinants of substrate binding and protonation in the flavoenzyme xenobiotic reductase A J.Mol.Biol., 403, 2010
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2YCL
| complete structure of the corrinoid,iron-sulfur protein including the N-terminal domain with a 4Fe-4S cluster | Descriptor: | CARBON MONOXIDE DEHYDROGENASE CORRINOID/IRON-SULFUR PROTEIN, GAMMA SUBUNIT, CO DEHYDROGENASE/ACETYL-COA SYNTHASE, ... | Authors: | Goetzl, S, Jeoung, J.H, Hennig, S.E, Dobbek, H. | Deposit date: | 2011-03-16 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for Electron and Methyl-Group Transfer in a Methyltransferase System Operating in the Reductive Acetyl-Coa Pathway J.Mol.Biol., 411, 2011
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