6N59
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![BU of 6n59 by Molmil](/molmil-images/mine/6n59) | 1.0 Angstrom crystal structure of [FeFe]-hydrogenase | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Keable, S.M, Artz, J.H, Peters, J.W. | Deposit date: | 2018-11-21 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc., 142, 2020
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8ALN
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![BU of 8aln by Molmil](/molmil-images/mine/8aln) | CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) at 1.34 Angstrom | Descriptor: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | Authors: | Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2022-08-01 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
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8PVM
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![BU of 8pvm by Molmil](/molmil-images/mine/8pvm) | formaldehyde-inhibited [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ... | Authors: | Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2023-07-18 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases. J.Am.Chem.Soc., 145, 2023
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3C8Y
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![BU of 3c8y by Molmil](/molmil-images/mine/3c8y) | 1.39 Angstrom crystal structure of Fe-only hydrogenase | Descriptor: | 2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Pandey, A.S, Lemon, B.J, Peters, J.W. | Deposit date: | 2008-02-14 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Dithiomethylether as a ligand in the hydrogenase h-cluster. J.Am.Chem.Soc., 130, 2008
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8AP2
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![BU of 8ap2 by Molmil](/molmil-images/mine/8ap2) | cyanide-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) at 1.39 Angstrom | Descriptor: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | Authors: | Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2022-08-09 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
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8AJ6
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![BU of 8aj6 by Molmil](/molmil-images/mine/8aj6) | cyanide-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) | Descriptor: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | Authors: | Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2022-07-27 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
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8AIO
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![BU of 8aio by Molmil](/molmil-images/mine/8aio) | CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) | Descriptor: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | Authors: | Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2022-07-26 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl., 62, 2023
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8QM3
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![BU of 8qm3 by Molmil](/molmil-images/mine/8qm3) | |
6NAC
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![BU of 6nac by Molmil](/molmil-images/mine/6nac) | Crystal structure of [FeFe]-hydrogenase I (CpI) solved with single pulse free electron laser data | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Cohen, A.E, Davidson, C.M, Zadvornyy, O.A, Keable, S.M, Lyubimov, A.Y, Song, J, McPhillips, S.E, Soltis, S.M, Peters, J.W. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc., 142, 2020
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4XDD
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![BU of 4xdd by Molmil](/molmil-images/mine/4xdd) | Apo [FeFe]-Hydrogenase CpI | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Esselborn, J, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2014-12-19 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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8CJY
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![BU of 8cjy by Molmil](/molmil-images/mine/8cjy) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Brocks, C, Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2023-02-13 | Release date: | 2023-10-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem, 17, 2024
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4XDC
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![BU of 4xdc by Molmil](/molmil-images/mine/4xdc) | Active semisynthetic [FeFe]-hydrogenase CpI with aza-dithiolato-bridged [2Fe] cofactor | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Esselborn, J, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2014-12-19 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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7QHF
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![BU of 7qhf by Molmil](/molmil-images/mine/7qhf) | [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant G302S | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Brocks, C, Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2021-12-12 | Release date: | 2023-09-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem, 2023
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5BYQ
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![BU of 5byq by Molmil](/molmil-images/mine/5byq) | Semisynthetic [FeFe]-hydrogenase CpI with oxodithiolato-bridged [2Fe] cofactor | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Esselborn, J, Muraki, N, Engelbrecht, V, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2015-06-10 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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6YF4
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![BU of 6yf4 by Molmil](/molmil-images/mine/6yf4) | [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant E279D | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The roles of long-range proton-coupled electron transfer in the directionality and efficiency of [FeFe]-hydrogenases. Proc.Natl.Acad.Sci.USA, 117, 2020
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1FEH
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![BU of 1feh by Molmil](/molmil-images/mine/1feh) | FE-ONLY HYDROGENASE FROM CLOSTRIDIUM PASTEURIANUM | Descriptor: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Peters, J.W, Lanzilotta, W.N, Lemon, B.J, Seefeldt, L.C. | Deposit date: | 1998-10-28 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of the Fe-only hydrogenase (CpI) from Clostridium pasteurianum to 1.8 angstrom resolution. Science, 282, 1998
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5BYR
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![BU of 5byr by Molmil](/molmil-images/mine/5byr) | Semisynthetic [FeFe]-hydrogenase CpI with propane-dithiolato-bridged [2Fe] cofactor | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Esselborn, J, Muraki, N, Engelbrecht, V, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2015-06-10 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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5BYS
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![BU of 5bys by Molmil](/molmil-images/mine/5bys) | Semisynthetic [FeFe]-hydrogenase CpI with sulfur-dithiolato-bridged [2Fe] cofactor | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Esselborn, J, Muraki, N, Engelbrecht, V, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2015-06-10 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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6N6P
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![BU of 6n6p by Molmil](/molmil-images/mine/6n6p) | Crystal structure of [FeFe]-hydrogenase in the presence of 7 mM Sodium dithionite | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Keable, S.M, Peters, J.W. | Deposit date: | 2018-11-26 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc., 142, 2020
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6GM8
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![BU of 6gm8 by Molmil](/molmil-images/mine/6gm8) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282Q | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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6GM4
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![BU of 6gm4 by Molmil](/molmil-images/mine/6gm4) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S319A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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6GLZ
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![BU of 6glz by Molmil](/molmil-images/mine/6glz) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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6GM1
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![BU of 6gm1 by Molmil](/molmil-images/mine/6gm1) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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5OEF
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![BU of 5oef by Molmil](/molmil-images/mine/5oef) | Active semisynthetic [FeFe]-hydrogenase CpI with aza-diselenato-bridged [2Fe] cofactor | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Kertess, L, Esselborn, J, Happe, T, Hofmann, E. | Deposit date: | 2017-07-07 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Chalcogenide substitution in the [2Fe] cluster of [FeFe]-hydrogenases conserves high enzymatic activity. Dalton Trans, 46, 2017
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6H63
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![BU of 6h63 by Molmil](/molmil-images/mine/6h63) | Semisynthetic [FeFe]-hydrogenase CpI with ethanedithiolate [2Fe] cofactor | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Winkler, M, Hofmann, E, Happe, T. | Deposit date: | 2018-07-26 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Geometry of the Catalytic Active Site in [FeFe]-Hydrogenase Is Determined by Hydrogen Bonding and Proton Transfer Acs Catalysis, 2019
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