6HR7
 
 | | HMG-CoA reductase from Methanothermococcus thermolithotrophicus apo form at 2.4 A resolution | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wagner, T, Voegeli, B, Erb, T.J, Shima, S. | | Deposit date: | 2018-09-26 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
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6HUZ
 | | HmdII from Desulfurobacterium thermolithotrophum reconstituted with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form B | | Descriptor: | 1,2-ETHANEDIOL, 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6HUY
 | | HmdII from Desulfurobacterium thermolithotrophum reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form A | | Descriptor: | 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, DIMETHYL SULFOXIDE, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6HAC
 | | Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form) | | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
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6HUX
 | | HmdII from Methanocaldococcus jannaschii reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydromethanopterin at 2.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, ACETATE ION, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
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3WB1
 | | HcgB from Methanocaldococcus jannaschii | | Descriptor: | SULFATE ION, Uncharacterized protein MJ0488 | | Authors: | Tamura, H, Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2013-05-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
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3WSD
 | | Oxidized HcgD from Methanocaldococcus jannaschii | | Descriptor: | CHLORIDE ION, FE (III) ION, Putative GTP cyclohydrolase 1 type 2 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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3WV9
 | | Guanylylpyridinol (GP)- and ATP-bound HcgE from Methanothermobacter marburgensis | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, ADENOSINE-5'-TRIPHOSPHATE, Hmd co-occurring protein HcgE, ... | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WV8
 | | ATP-bound HcgE from Methanothermobacter marburgensis | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Hmd co-occurring protein HcgE, SULFATE ION | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WSF
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3WVB
 | | HcgF from Methanocaldococcus jannaschii | | Descriptor: | UPF0254 protein MJ1251 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WVC
 | | Guanylylpyridinol (GP)-bound HcgF from Methanocaldococcus jannaschii | | Descriptor: | 5'-O-[(R)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, SULFATE ION, ... | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WVA
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3WSH
 | | EDTA-treated, oxidized HcgD from Methanocaldococcus jannaschii | | Descriptor: | FE (III) ION, Putative GTP cyclohydrolase 1 type 2, SULFATE ION | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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3WSI
 | | EDTA-treated, reduced HcgD from Methanocaldococcus jannaschii | | Descriptor: | FE (II) ION, PHOSPHATE ION, Putative GTP cyclohydrolase 1 type 2 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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3WB0
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3WSG
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3WV7
 | | HcgE from Methanothermobacter marburgensis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hmd co-occurring protein HcgE | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WB2
 | | HcgB from Methanocaldococcus jannaschii in complex with the guanylyl-pyridinol product in a model reaction of [Fe]-hydrogenase cofactor biosynthesis | | Descriptor: | 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2013-05-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
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3WSE
 | | Reduced HcgD from Methanocaldococcus jannaschii | | Descriptor: | FE (II) ION, PHOSPHATE ION, Putative GTP cyclohydrolase 1 type 2 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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5G0R
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1MRO
 | | METHYL-COENZYME M REDUCTASE | | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | Authors: | Ermler, U, Grabarse, W. | | Deposit date: | 1997-10-01 | | Release date: | 1998-11-11 | | Last modified: | 2017-03-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal structure of methyl-coenzyme M reductase: the key enzyme of biological methane formation.
Science, 278, 1997
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1HBU
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1HBN
 | | METHYL-COENZYME M REDUCTASE | | Descriptor: | 1-THIOETHANESULFONIC ACID, CHLORIDE ION, Coenzyme B, ... | | Authors: | Ermler, U, Grabarse, W. | | Deposit date: | 2001-04-20 | | Release date: | 2001-08-16 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | On the Mechanism of Biological Methane Formation: Structural Evidence for Conformational Changes in Methyl-Coenzyme M Reductase Upon Substrate Binding
J.Mol.Biol., 309, 2001
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1HBO
 | | METHYL-COENZYME M REDUCTASE MCR-RED1-SILENT | | Descriptor: | 1-THIOETHANESULFONIC ACID, CHLORIDE ION, Coenzyme B, ... | | Authors: | Grabarse, W. | | Deposit date: | 2001-04-20 | | Release date: | 2001-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | On the Mechanism of Biological Methane Formation: Structural Evidence for Conformational Changes in Methyl-Coenzyme M Reductase Upon Substrate Binding
J.Mol.Biol., 309, 2001
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