6SYO
 
 | | Hydrogenase-2 variant R479K - As Isolated form | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A. | | Deposit date: | 2019-09-30 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine.
To Be Published
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4URH
 | | High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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1H2R
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4GD3
 | | Structure of E. coli hydrogenase-1 in complex with cytochrome b | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | Deposit date: | 2012-07-31 | | Release date: | 2013-01-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structure of the O(2)-Tolerant Membrane-Bound Hydrogenase 1 from Escherichia coli in Complex with Its Cognate Cytochrome b.
Structure, 21, 2013
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8W6X
 | | Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Hiromoto, T, Tamada, T. | | Deposit date: | 2023-08-30 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-15 | | Method: | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | | Cite: | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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5D51
 | | Krypton derivatization of an O2-tolerant membrane-bound [NiFe] hydrogenase reveals a hydrophobic gas tunnel network | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | | Authors: | Kalms, J, Schmidt, A, Frielingsdorf, S, van der Linden, P, von Stetten, D, Lenz, O, Carpentier, P, Scheerer, P. | | Deposit date: | 2015-08-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Krypton Derivatization of an O2 -Tolerant Membrane-Bound [NiFe] Hydrogenase Reveals a Hydrophobic Tunnel Network for Gas Transport.
Angew.Chem.Int.Ed.Engl., 55, 2016
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2FRV
 | | CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Volbeda, A, Frey, M, Fontecilla-Camps, J.C. | | Deposit date: | 1997-06-10 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure of the [Nife] Hydrogenase Active Site: Evidence for Biologically Uncommon Fe Ligands
J.Am.Chem.Soc., 118, 1996
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1H2A
 | | SINGLE CRYSTALS OF HYDROGENASE FROM DESULFOVIBRIO VULGARIS | | Descriptor: | FE3-S4 CLUSTER, HYDROGENASE, IRON/SULFUR CLUSTER, ... | | Authors: | Higuchi, Y, Yasuoka, N. | | Deposit date: | 1997-10-17 | | Release date: | 1999-02-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unusual ligand structure in Ni-Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysis.
Structure, 5, 1997
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8DQV
 | | The 1.52 angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - catalytic dimer (Huc2S2L) | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ... | | Authors: | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | | Deposit date: | 2022-07-20 | | Release date: | 2023-01-04 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (1.52 Å) | | Cite: | Structural basis for bacterial energy extraction from atmospheric hydrogen.
Nature, 615, 2023
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3MYR
 | | Crystal structure of [NiFe] hydrogenase from Allochromatium vinosum in its Ni-A state | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, Hydrogenase (NiFe) small subunit HydA, ... | | Authors: | Ogata, H, Kellers, P, Lubitz, W. | | Deposit date: | 2010-05-11 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of the [NiFe] hydrogenase from the photosynthetic bacterium Allochromatium vinosum: characterization of the oxidized enzyme (Ni-A state).
J.Mol.Biol., 402, 2010
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3H3X
 | | Structure of the V74M large subunit mutant of NI-FE hydrogenase in an oxidized state | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martinez, N, Martin, L, Fontecilla-Camps, J.C. | | Deposit date: | 2009-04-17 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Introduction of methionines in the gas channel makes [NiFe] hydrogenase aero-tolerant
J.Am.Chem.Soc., 131, 2009
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7NEM
 | | Hydrogenase-2 variant R479K - anaerobically oxidised form | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B. | | Deposit date: | 2021-02-04 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A comprehensive structural and kinetic investigation of the role of the active-site argininein bidirectional hydrogen activation by the [NiFe]-hydrogenase "Hyd-2) from Escherichia coli
To Be Published
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3RGW
 | | Crystal structure at 1.5 A resolution of an H2-reduced, O2-tolerant hydrogenase from Ralstonia eutropha unmasks a novel iron-sulfur cluster | | Descriptor: | FE3-S4 CLUSTER, FE4-S3 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Scheerer, P, Fritsch, J, Frielingsdorf, S, Kroschinsky, S, Friedrich, B, Lenz, O, Spahn, C.M.T. | | Deposit date: | 2011-04-10 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre.
Nature, 479, 2011
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5XFA
 | | Crystal structure of NAD+-reducing [NiFe]-hydrogenase in the H2-reduced state | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Shomura, Y, Taketa, M, Nakashima, H, Tai, H, Nakagawa, H, Ikeda, Y, Ishii, M, Igarashi, Y, Nishihara, H, Yoon, K.S, Ogo, S, Hirota, S, Higuchi, Y. | | Deposit date: | 2017-04-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase
Science, 357, 2017
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2WPN
 | | Structure of the oxidised, as-isolated NiFeSe hydrogenase from D. vulgaris Hildenborough | | Descriptor: | 3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II), CARBONMONOXIDE-(DICYANO) IRON, ... | | Authors: | Marques, M.C, Coelho, R, De Lacey, A.L, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2009-08-07 | | Release date: | 2010-01-12 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The three-dimensional structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough: a hydrogenase without a bridging ligand in the active site in its oxidised, "as-isolated" state.
J.Mol.Biol., 396, 2010
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4OMF
 | | The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member | | Descriptor: | CHLORIDE ION, F420-reducing hydrogenase, subunit alpha, ... | | Authors: | Vitt, S, Ma, K, Warkentin, E, Moll, J, Pierik, A, Shima, S, Ermler, U. | | Deposit date: | 2014-01-27 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member.
J.Mol.Biol., 426, 2014
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7ODH
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7ODG
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4UQP
 | | High-resolution structure of the D. fructosovorans NiFe-hydrogenase L122A mutant after exposure to air | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-29 | | Last modified: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic Studies of [Nife]-Hydrogenase Mutants: Towards Consensus Structures for the Elusive Unready Oxidized States.
J.Biol.Inorg.Chem., 20, 2015
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4UQL
 | | High-resolution structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-24 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Crystallographic Studies of [Nife]-Hydrogenase Mutants: Towards Consensus Structures for the Elusive Unready Oxidized States.
J.Biol.Inorg.Chem., 20, 2015
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3CUR
 | | Structure of a double methionine mutant of NI-FE hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A. | | Deposit date: | 2008-04-17 | | Release date: | 2008-08-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6GAL
 | | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q collected at pH 10 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
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6FPI
 | | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q | | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
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3CUS
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3AYX
 | | Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an H2-reduced condition | | Descriptor: | CARBON MONOXIDE, CYANIDE ION, FE (II) ION, ... | | Authors: | Shomura, Y, Yoon, K.S, Nishihara, H, Higuchi, Y. | | Deposit date: | 2011-05-20 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
Nature, 479, 2011
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