6ENO
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![BU of 6eno by Molmil](/molmil-images/mine/6eno) | Double cubane cluster oxidoreductase | Descriptor: | CITRIC ACID, Dehydratase family protein, Double cubane cluster, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2017-10-05 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.635 Å) | Cite: | ATP-dependent substrate reduction at an [Fe8S9] double-cubane cluster. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7B9A
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![BU of 7b9a by Molmil](/molmil-images/mine/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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7B7Q
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![BU of 7b7q by Molmil](/molmil-images/mine/7b7q) | CooS-V with oxidized hybrid cluster | 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, Carbon monoxide dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2020-12-11 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 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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7B7T
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![BU of 7b7t by Molmil](/molmil-images/mine/7b7t) | CooS-V with oxidized hybrid cluster | Descriptor: | (R,R)-2,3-BUTANEDIOL, Carbon monoxide dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2020-12-11 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.38 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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7B95
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![BU of 7b95 by Molmil](/molmil-images/mine/7b95) | CooS-V with partially oxidized hybrid cluster by hydroxylamine | Descriptor: | (R,R)-2,3-BUTANEDIOL, Carbon monoxide dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | 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 (1.4 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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7B97
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![BU of 7b97 by Molmil](/molmil-images/mine/7b97) | CooS-V with oxidized hybrid cluster by hydroxylamine for 30 min | Descriptor: | (R,R)-2,3-BUTANEDIOL, 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane, 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 (1.45 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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2YIV
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![BU of 2yiv by Molmil](/molmil-images/mine/2yiv) | NI,FE-CODH with n-butylisocyanate state | Descriptor: | CARBON MONOXIDE DEHYDROGENASE 2, FE (III) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2011-05-16 | Release date: | 2012-03-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | N-Butyl Isocyanide Oxidation at the [Nife4S4Oh(X)] Cluster of Co Dehydrogenase. J.Biol.Inorg.Chem., 17, 2012
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3B51
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![BU of 3b51 by Molmil](/molmil-images/mine/3b51) | Ni,Fe-CODH-600 mV state | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2007-10-25 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase. Science, 318, 2007
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3B53
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![BU of 3b53 by Molmil](/molmil-images/mine/3b53) | Ni,Fe-CODH-320 mV state | Descriptor: | Carbon monoxide dehydrogenase 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2007-10-25 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase. Science, 318, 2007
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3B52
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![BU of 3b52 by Molmil](/molmil-images/mine/3b52) | Ni,Fe-CODH-600 mV state + CO2 | Descriptor: | CARBON DIOXIDE, Carbon monoxide dehydrogenase 2, FE (II) ION, ... | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2007-10-25 | Release date: | 2007-12-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase. Science, 318, 2007
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6G2G
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![BU of 6g2g by Molmil](/molmil-images/mine/6g2g) | Fe-S assembly Cfd1 | Descriptor: | Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2018-03-23 | Release date: | 2019-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ELQ
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![BU of 6elq by Molmil](/molmil-images/mine/6elq) | Carbon Monoxide Dehydrogenase IV from Carboxydothermus hydrogenoformans | Descriptor: | Carbon Monoxide Dehydrogenase, FE(4)-NI(1)-S(5) CLUSTER with Oxygen, IRON/SULFUR CLUSTER | Authors: | Domnik, L, Goetzl, S, Jeoung, J.H, Dobbek, H. | Deposit date: | 2017-09-29 | Release date: | 2018-01-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2. Angew. Chem. Int. Ed. Engl., 56, 2017
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6QII
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![BU of 6qii by Molmil](/molmil-images/mine/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
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![BU of 6qgt by Molmil](/molmil-images/mine/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
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![BU of 6qgr by Molmil](/molmil-images/mine/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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7NYS
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![BU of 7nys by Molmil](/molmil-images/mine/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
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![BU of 7nz5 by Molmil](/molmil-images/mine/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$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CITRIC ACID, ... | Authors: | Kreibich, J, Jeoung, J.H, Dobbek, H. | Deposit date: | 2021-03-23 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase To Be Published
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7O0D
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![BU of 7o0d by Molmil](/molmil-images/mine/7o0d) | |
7NYP
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![BU of 7nyp by Molmil](/molmil-images/mine/7nyp) | monomeric acetyl-CoA synthase in closed conformation | Descriptor: | 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$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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4C1N
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![BU of 4c1n by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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4EMI
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![BU of 4emi by Molmil](/molmil-images/mine/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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4EMJ
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![BU of 4emj by Molmil](/molmil-images/mine/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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2YCL
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![BU of 2ycl by Molmil](/molmil-images/mine/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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2YCI
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![BU of 2yci by Molmil](/molmil-images/mine/2yci) | methyltransferase native | Descriptor: | 5-METHYLTETRAHYDROFOLATE CORRINOID/IRON SULFUR PROTEIN METHYLTRANSFERASE, SULFATE ION | Authors: | Goetzl, S, Jeoung, J.H, Hennig, S.E, Dobbek, H. | Deposit date: | 2011-03-16 | Release date: | 2011-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 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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7ZX3
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![BU of 7zx3 by Molmil](/molmil-images/mine/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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