4UTI
 
 | | XenA - oxidized - Y183F variant in complex with coumarin | | Descriptor: | COUMARIN, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ... | | Authors: | Werther, T, Dobbek, H. | | Deposit date: | 2014-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.099 Å) | | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
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4UR0
 | | Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with trichloroethene | | Descriptor: | 1,1,2-trichloroethene, BENZAMIDINE, GLYCEROL, ... | | Authors: | Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H. | | Deposit date: | 2014-06-25 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structural Basis for Organohalide Respiration.
Science, 346, 2014
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4UQU
 | | Crystal structure of the tetrachloroethene reductive dehalogenase from Sulfurospirillum multivorans | | Descriptor: | BENZAMIDINE, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H. | | Deposit date: | 2014-06-25 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.595 Å) | | Cite: | Structural Basis for Organohalide Respiration.
Science, 346, 2014
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4UTK
 | | XenA - reduced - Y183F variant | | 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 | | Authors: | Werther, T, Dobbek, H. | | Deposit date: | 2014-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
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8ON3
 | | NI,FE-CODH -320mV + CN state : 24 h Dioxygen Exposure | | Descriptor: | Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2023-03-31 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8ON1
 | | NI,FE-CODH -600mV state : 4 h Dioxygen Exposure | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE (III) ION, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2023-03-31 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8OMY
 | | NI,FE-CODH -600mV state : 35 min Dioxygen Exposure | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE (III) ION, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2023-03-31 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8ON0
 | | NI,FE-CODH -600mV state : 90 min Dioxygen Exposure | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE (III) ION, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2023-03-31 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8OMX
 | | NI,FE-CODH -600mV state : 1 min Dioxygen Exposure | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE(4)-NI(1)-S(5) CLUSTER, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2023-03-31 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8ON2
 | | NI,FE-CODH -600mV state : 24 h Dioxygen Exposure | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2023-03-31 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Stepwise O 2 -Induced Rearrangement and Disassembly of the [NiFe 4 (OH)( mu 3 -S) 4 ] Active Site Cluster of CO Dehydrogenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7B9A
 | | CooS-V with Xe-soaked | | Descriptor: | 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane, BROMIDE ION, Carbon monoxide dehydrogenase, ... | | Authors: | Jeoung, J.H, Dobbek, H. | | Deposit date: | 2020-12-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Morphing [4Fe-3S-nO]-Cluster within a Carbon Monoxide Dehydrogenase Scaffold.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6QII
 | | Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ... | | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | | Deposit date: | 2019-01-19 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGT
 | | The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ... | | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | | Deposit date: | 2019-01-12 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.988 Å) | | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGR
 | | The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ... | | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | | Deposit date: | 2019-01-12 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
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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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3PVJ
 | | Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 | | Descriptor: | Alpha-ketoglutarate-dependent taurine dioxygenase, CHLORIDE ION | | Authors: | Knauer, S.H, Spiegelhauer, O, Schwarzinger, S, Haenzelmann, P, Dobbek, H. | | Deposit date: | 2010-12-07 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biochemical and structural characterization of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440
To be Published
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5OBP
 | | PCE reductive dehalogenase from S. multivorans with 6-hydroxybenzimidazolyl norcobamide cofactor | | Descriptor: | 6-hydroxybenzimidazolyl-norcobamide, BENZAMIDINE, GLYCEROL, ... | | Authors: | Keller, S, Kunze, C, Bommer, M, Paetz, C, Menezes, R.C, Svatos, A, Dobbek, H, Schubert, T. | | Deposit date: | 2017-06-28 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans.
J. Bacteriol., 200, 2018
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5OBI
 | | PCE reductive dehalogenase from S. multivorans with 5-METHOXYBENZIMIDAZOLYL-NORCOBAMIDE cofactor | | Descriptor: | 5-Methoxybenzimidazolyl-norcobamide, BENZAMIDINE, GLYCEROL, ... | | Authors: | Keller, S, Kunze, C, Bommer, M, Paetz, C, Menezes, R.C, Svatos, A, Dobbek, H, Schubert, T. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans.
J. Bacteriol., 200, 2018
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7ZXC
 | | H96D Mutant of Recombinant CODH-II | | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) 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 (1.696 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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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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7ZY1
 | | I567A 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: | 2022-05-23 | | Release date: | 2023-03-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.434 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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7ZX6
 | | I567L 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 (1.447 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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7ZXX
 | | K563H Mutant of Recombinant CODH-II | | Descriptor: | Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Basak, Y, Jeoung, J.H, Dobbek, H. | | Deposit date: | 2022-05-23 | | Release date: | 2023-03-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 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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7ZXJ
 | | K563A Mutant of Recombinant CODH-II | | Descriptor: | Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | 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 (1.249 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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7ZX3
 | | C295D Mutant of Recombinant CODH-II | | Descriptor: | Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) 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 (1.683 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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