4U9H
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![BU of 4u9h by Molmil](/molmil-images/mine/4u9h) | Ultra High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | Authors: | Ogata, H, Nishikawa, K, Lubitz, W. | Deposit date: | 2014-08-06 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase. Nature, 520, 2015
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5JSK
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![BU of 5jsk by Molmil](/molmil-images/mine/5jsk) | The 3D structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the reduced state at 0.95 Angstrom resolution | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | Authors: | Marques, M.C, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2016-05-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis. Nat. Chem. Biol., 13, 2017
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6Z8M
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![BU of 6z8m by Molmil](/molmil-images/mine/6z8m) | Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491S-O2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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5JSY
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![BU of 5jsy by Molmil](/molmil-images/mine/5jsy) | The 3D structure of the Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough at 1.04 Angstrom resolution | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Marques, M.C, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2016-05-09 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis. Nat. Chem. Biol., 13, 2017
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8W6X
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![BU of 8w6x by Molmil](/molmil-images/mine/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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1WUI
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![BU of 1wui by Molmil](/molmil-images/mine/1wui) | Ultra-High resolution Structure Of The Ni-A State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, ... | Authors: | Ogata, H, Hirota, S, Nakahara, A, Komori, H, Shibata, N, Kato, T, Kano, K, Higuchi, Y. | Deposit date: | 2004-12-07 | Release date: | 2005-12-07 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Activation process of [NiFe] hydrogenase elucidated by high-resolution X-Ray analyses: conversion of the ready to the unready state Structure, 13, 2005
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6FPO
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![BU of 6fpo by Molmil](/molmil-images/mine/6fpo) | High resolution structure of native Hydrogenase (Hyd-1) | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | Deposit date: | 2018-02-11 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 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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4U9I
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![BU of 4u9i by Molmil](/molmil-images/mine/4u9i) | High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | Authors: | Ogata, H, Nishikawa, K, Lubitz, W. | Deposit date: | 2014-08-06 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase. Nature, 520, 2015
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6Z8J
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![BU of 6z8j by Molmil](/molmil-images/mine/6z8j) | Structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris hildenborough pressurized with Oxygen gas - structure wtO2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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1WUK
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![BU of 1wuk by Molmil](/molmil-images/mine/1wuk) | High resolution Structure Of The Oxidized State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Ogata, H, Hirota, S, Nakahara, A, Komori, H, Shibata, N, Kato, T, Kano, K, Higuchi, Y. | Deposit date: | 2004-12-07 | Release date: | 2005-12-07 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Activation process of [NiFe] hydrogenase elucidated by high-resolution X-Ray analyses: conversion of the ready to the unready state Structure, 13, 2005
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5ADU
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![BU of 5adu by Molmil](/molmil-images/mine/5adu) | The Mechanism of Hydrogen Activation by NiFe-hydrogenases | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-08-24 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases. Nat. Chem. Biol., 12, 2016
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6RTP
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![BU of 6rtp by Molmil](/molmil-images/mine/6rtp) | |
3AYX
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![BU of 3ayx by Molmil](/molmil-images/mine/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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1UBK
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![BU of 1ubk by Molmil](/molmil-images/mine/1ubk) | Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), CARBON MONOXIDE, ... | Authors: | Ogata, H, Mizoguchi, Y, Mizuno, N, Miki, K, Adachi, S, Yasuoka, N, Yagi, T, Yamauchi, O, Hirota, S, Higuchi, Y. | Deposit date: | 2003-04-04 | Release date: | 2003-04-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen J.Am.Chem.Soc., 124, 2002
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6RUC
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![BU of 6ruc by Molmil](/molmil-images/mine/6ruc) | |
5LMM
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![BU of 5lmm by Molmil](/molmil-images/mine/5lmm) | Structure of E coli Hydrogenase Hyd-1 mutant E28Q | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | Deposit date: | 2016-08-01 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Kinetic consequences of re-engineering the outer shell "canopy" above the active site of a [NiFe]-hydrogenase. To Be Published
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1UBL
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![BU of 1ubl by Molmil](/molmil-images/mine/1ubl) | Three-dimensional Structure of The Carbon Monoxide Complex of [NiFe]hydrogenase From Desulufovibrio vulgaris Miyazaki F | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI), CARBON MONOXIDE, ... | Authors: | Ogata, H, Mizoguchi, Y, Mizuno, N, Miki, K, Adachi, S, Yasuoka, N, Yagi, T, Yamauchi, O, Hirota, S, Higuchi, Y. | Deposit date: | 2003-04-04 | Release date: | 2003-04-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen J.Am.Chem.Soc., 124, 2002
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5JRD
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![BU of 5jrd by Molmil](/molmil-images/mine/5jrd) | E. coli Hydrogenase-1 variant P508A | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A. | Deposit date: | 2016-05-06 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase. Biochemistry, 56, 2017
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6G7R
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![BU of 6g7r by Molmil](/molmil-images/mine/6g7r) | Structure of fully reduced variant E28Q of E. coli hydrogenase-1 at pH 8 | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | Deposit date: | 2018-04-06 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 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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4UQL
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![BU of 4uql by Molmil](/molmil-images/mine/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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3AYZ
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![BU of 3ayz by Molmil](/molmil-images/mine/3ayz) | Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an air-oxidized 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 (1.22 Å) | Cite: | Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase Nature, 479, 2011
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5A4I
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![BU of 5a4i by Molmil](/molmil-images/mine/5a4i) | The mechanism of Hydrogen activation by NiFE-hydrogenases | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.C, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-06-10 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases. Nat. Chem. Biol., 12, 2016
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1WUH
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![BU of 1wuh by Molmil](/molmil-images/mine/1wuh) | Three-Dimensional Structure Of The Ni-A State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Ogata, H, Hirota, S, Nakahara, A, Komori, H, Shibata, N, Kato, T, Kano, K, Higuchi, Y. | Deposit date: | 2004-12-07 | Release date: | 2005-12-07 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural basis for the activation process of [NiFe] hydrogenase from D.vulgaris Miyazaki F To be Published
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6SYO
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![BU of 6syo by Molmil](/molmil-images/mine/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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6GAL
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![BU of 6gal by Molmil](/molmil-images/mine/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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