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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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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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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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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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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5ODI
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus cocrystallized with CoM-SH | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5O4H
 | | HcgC from Methanococcus maripaludis cocrystallized with SAM and pyridinol | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, HcgC, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5O5W
 | | Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography | | Descriptor: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Steffen, B, Weinert, T, Ermler, U, Standfuss, J. | | Deposit date: | 2017-06-02 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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5ODQ
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with bromoethanesulfonate. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-bromanylethanesulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5ODC
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus at 2.3 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5O4N
 | | Apo HcgC from Methanococcus maripaludis soaked with SAH and pyridinol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5ODH
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 3.5 minutes | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5O4J
 | | HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol | | Descriptor: | (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OL2
 | | The electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile | | Descriptor: | Acyl-CoA dehydrogenase, CALCIUM ION, COENZYME A PERSULFIDE, ... | | Authors: | Demmer, J.K, Chowdhury, N.P, Selmer, T, Ermler, U, Buckel, W. | | Deposit date: | 2017-07-26 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile.
Nat Commun, 8, 2017
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5ODR
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 2 minutes. | | Descriptor: | 1-THIOETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5OK4
 | | Crystal structure of native [Fe]-hydrogenase Hmd from Methanothermobacter marburgensis inactivated by O2. | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, FE (III) ION, ... | | Authors: | Wagner, T, Huang, G, Bill, E, Ermler, U, Ataka, K, Shima, S. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Dioxygen Sensitivity of [Fe]-Hydrogenase in the Presence of Reducing Substrates.
Angew. Chem. Int. Ed. Engl., 57, 2018
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