6GAN
 
 | | Structure of fully reduced Hydrogenase (Hyd-2) variant E14Q | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 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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6G7M
 | | Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | | Authors: | Carr, S.B, Armstrong, F.A, Zhang, L, Beaton, S.E. | | Deposit date: | 2018-04-06 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters
Energy Environ Sci, 2019
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6GAM
 | | Structure of E14Q variant of E. coli hydrogenase-2 (as-isolated enzyme) | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 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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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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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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1PC4
 | | Crystal Structure of the P50A mutant of ferredoxin I at 1.65 A Resolution | | Descriptor: | FE3-S4 CLUSTER, Ferredoxin I, IRON/SULFUR CLUSTER | | Authors: | Camba, R, Jung, Y.S, Chen, K, Hunsicker-Wang, L.M, Burgess, B.K, Stout, C.D, Hirst, J, Armstrong, F.A. | | Deposit date: | 2003-05-15 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanisms of redox-coupled proton transfer in proteins: role of the proximal proline in reactions of the [3Fe-4S] cluster in Azotobacter vinelandii ferredoxin I
Biochemistry, 42, 2003
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1PC5
 | | Crystal Structure of the P50G Mutant of Ferredoxin I at 1.8 A Resolution | | Descriptor: | FE3-S4 CLUSTER, Ferredoxin I, IRON/SULFUR CLUSTER | | Authors: | Camba, R, Jung, Y.S, Chen, K, Hunsicker-Wang, L.M, Burgess, B.K, Stout, C.D, Hirst, J, Armstrong, F.A. | | Deposit date: | 2003-05-15 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms of redox-coupled proton transfer in proteins: role of the proximal proline in reactions of the [3Fe-4S] cluster in Azotobacter vinelandii ferredoxin I
Biochemistry, 42, 2003
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1B0V
 | | I40N MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN) | | Authors: | Sridhar, V, Prasad, G.S, Stout, C.D, Chen, K, Burgess, B.K. | | Deposit date: | 1998-11-12 | | Release date: | 2000-01-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Alteration of the reduction potential of the [4Fe-4S](2+/+) cluster of Azotobacter vinelandii ferredoxin I.
J.Biol.Chem., 274, 1999
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6G94
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8BAY
 | | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | | Descriptor: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | | Authors: | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | | Deposit date: | 2022-10-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2.
J.Biol.Chem., 299, 2023
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8POV
 | | Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the H2-reduced state at 1.92 A Resolution. | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | | Deposit date: | 2023-07-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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8POU
 | | Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.65 A Resolution. | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | | Deposit date: | 2023-07-05 | | Release date: | 2023-11-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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8POW
 | | Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.61 A Resolution. | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, Fe4S4, ... | | Authors: | Kalms, J, Schmidt, A, Scheerer, P. | | Deposit date: | 2023-07-05 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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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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8QM3
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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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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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3EGW
 | | The crystal structure of the NarGHI mutant NarH - C16A | | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ... | | Authors: | Bertero, M.G, Rothery, R.A, Weiner, J.H, Strynadka, N.C.J. | | Deposit date: | 2008-09-11 | | Release date: | 2010-03-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | When width is more important than height: Barriers to electron transfer in E.coli nitrate reductase
To be Published
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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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3USC
 | | Crystal Structure of E. coli hydrogenase-1 in a ferricyanide-oxidized form | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | Deposit date: | 2011-11-23 | | Release date: | 2012-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UQY
 | | H2-reduced structure of E. coli hydrogenase-1 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | Deposit date: | 2011-11-21 | | Release date: | 2012-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3USE
 | | Crystal Structure of E. coli hydrogenase-1 in its as-isolated form | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C, Darnault, C. | | Deposit date: | 2011-11-23 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | X-ray crystallographic and computational studies of the O2-tolerant [NiFe]-hydrogenase 1 from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2B7R
 | | Structure of E378D mutant flavocytochrome c3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ... | | Authors: | Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2005-10-05 | | Release date: | 2006-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina.
J.Biol.Chem., 281, 2006
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2B7S
 | | R381K mutant of flavocytochrome c3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ... | | Authors: | Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2005-10-05 | | Release date: | 2006-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina.
J.Biol.Chem., 281, 2006
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7PJN
 | | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | | Descriptor: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
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