4AQ6
 
 | | substrate bound homogentisate 1,2-dioxygenase | | Descriptor: | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, ... | | Authors: | Jeoung, J.-H, Lin, T.-Y, Bommer, M, Dobbek, H. | | Deposit date: | 2012-04-12 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Visualizing the Substrate-, Superoxo-, Alkylperoxo- and Product-Bound States at the Non-Heme Fe(II) Site of Homogentisate Dioxygenase
Proc.Natl.Acad.Sci.USA, 110, 2013
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7O90
 | | Mono-Fe-sulerythrin | | Descriptor: | CHLORIDE ION, FE (III) ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7O89
 | | sulerythrin without metals (apo-state) | | Descriptor: | CHLORIDE ION, Sulerythrin | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2021-04-15 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
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7YYL
 | | nucleotide-free DCCP:DCCP-R complex | | Descriptor: | Dehydratase family protein, Double cubane cluster, IRON/SULFUR CLUSTER, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2022-02-18 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YZQ
 | | MgADP-AlF4-bound DCCP:DCCP-R complex | | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2022-02-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YZM
 | | MgADPNP-bound DCCP:DCCP-R complex | | Descriptor: | (R,R)-2,3-BUTANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2022-02-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
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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
 | | 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
 | | 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
 | | 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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5FLE
 | | High resolution NI,FE-CODH-320 mV with CN state | | Descriptor: | CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ciaccafava, A, Tombolelli, D, Domnik, L, Fesseler, J, Jeoung, J.-H, Dobbek, H, Mroginski, M.A, Hildebrandt, P, Zebger, I. | | Deposit date: | 2015-10-26 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase.
Chem Sci, 7, 2016
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8CJA
 | | A225L/F231A 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 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8CJB
 | | A268M variant of the CODH/ACS complex of C. hydrogenoformans | | Descriptor: | ACETATE ION, CO-methylating acetyl-CoA synthase, Carbon monoxide dehydrogenase, ... | | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | | Deposit date: | 2023-02-13 | | Release date: | 2024-02-21 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 63, 2024
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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 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 63, 2024
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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 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Coupling CO 2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 63, 2024
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6T7J
 | | As-isolated Ni-free crystal structure of carbon monoxide dehydrogenase from Thermococcus sp. AM4 produced without CooC maturase | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Broken Fe4S4 cluster, CITRIC ACID, ... | | Authors: | Dobbek, H, Jeoung, J.-H. | | Deposit date: | 2019-10-22 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The two CO-dehydrogenases of Thermococcus sp. AM4.
Biochim Biophys Acta Bioenerg, 1861, 2020
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5AA5
 | | Actinobacterial-type NiFe-hydrogenase from Ralstonia eutropha H16 at 2.85 Angstrom resolution | | Descriptor: | IRON/SULFUR CLUSTER, MALONIC ACID, NIFE-HYDROGENASE LARGE SUBUNIT, ... | | Authors: | Schaefer, C, Bommer, M, Hennig, S, Jeoung, J.H, Dobbek, H, Lenz, O. | | Deposit date: | 2015-07-23 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structure of an Actinobacterial-Type [Nife]-Hydrogenase Reveals Insight Into O2-Tolerant H2 Oxidation.
Structure, 24, 2016
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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: | 2024-05-08 | | 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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4UDX
 | | CO2 bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | | Descriptor: | CARBON DIOXIDE, CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, ... | | Authors: | Fesseler, J, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2014-12-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | How the [NiFe4S4] Cluster of CO Dehydrogenase Activates CO2 and NCO(-).
Angew. Chem. Int. Ed. Engl., 54, 2015
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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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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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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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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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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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