8CJC
| F515A variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-13 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A225L variant of the CODH/ACS complex of C. hydrogenoformans To Be Published
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8CMW
| A225L variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A225L variant of the CODH/ACS complex of C. hydrogenoformans To Be Published
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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: | 2018-04-04 | 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: | 2019-03-06 | 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: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
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4UR2
| Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with iodide | Descriptor: | GLYCEROL, IODIDE ION, 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: | 2019-03-06 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
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4UTL
| XenA - reduced - Y183F variant in complex with coumarin | 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, COUMARIN, SULFATE ION, ... | Authors: | Werther, T, Dobbek, H. | Deposit date: | 2014-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.229 Å) | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
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4UR1
| Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with dibromoethene | Descriptor: | BENZAMIDINE, CIS-DIBROMOETHENE, 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: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
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4UTJ
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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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4EO1
| crystal structure of the TolA binding domain from the filamentous phage IKe | Descriptor: | Attachment protein G3P, MAGNESIUM ION | 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: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and energetic basis of infection by the filamentous bacteriophage IKe. Mol.Microbiol., 84, 2012
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4EMJ
| Complex between the reductase and ferredoxin components of toluene dioxygenase | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-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: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 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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5G3A
| PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 10 | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | Deposit date: | 2016-04-25 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.224 Å) | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches Biochemistry, 55, 2016
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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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5G38
| PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6 | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | Deposit date: | 2016-04-24 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches Biochemistry, 55, 2016
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5G39
| PsbO subunit of Photosystem II, beta barrel domain at 297K, pH 6 | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | Deposit date: | 2016-04-24 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches Biochemistry, 55, 2016
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8CAV
| Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | Authors: | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | Deposit date: | 2023-01-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. 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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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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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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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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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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4UDY
| NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | Descriptor: | CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Fesseler, J, Jeoung, J.-H, Dobbek, H. | Deposit date: | 2014-12-12 | Release date: | 2015-05-13 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | How the [Nife4 S4 ] Cluster of Co Dehydrogenase Activates Co2 and Nco(.) Angew.Chem.Int.Ed.Engl., 54, 2015
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