5T5M
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![BU of 5t5m by Molmil](/molmil-images/mine/5t5m) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRIGONAL FORM AT 2.5 A. | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, GLYCEROL, HYDROSULFURIC ACID, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-08-31 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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6GGU
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![BU of 6ggu by Molmil](/molmil-images/mine/6ggu) | Crystal structure of native FE-hydrogenase from Methanothermobacter marburgensis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ... | Authors: | Wagner, T, Huang, G, Ermler, U, Shima, S. | Deposit date: | 2018-05-03 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Self-protection of the catalytic iron center of a methanogenic [Fe]-hydrogenase via a dynamic dimer-to-hexamer transformation To Be Published
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5O4N
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![BU of 5o4n by Molmil](/molmil-images/mine/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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5O4M
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![BU of 5o4m by Molmil](/molmil-images/mine/5o4m) | Fresh crystals of HcgC from Methanococcus maripaludis cocrystallized 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 (2.1 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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5O4H
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![BU of 5o4h by Molmil](/molmil-images/mine/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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5N1Q
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![BU of 5n1q by Molmil](/molmil-images/mine/5n1q) | METHYL-COENZYME M REDUCTASE III FROM METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS AT 1.9 A RESOLUTION | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | Deposit date: | 2017-02-06 | Release date: | 2017-06-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales. J.Bacteriol., 199, 2017
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5N2A
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![BU of 5n2a by Molmil](/molmil-images/mine/5n2a) | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS TRIGONAL FORM | Descriptor: | 1-THIOETHANESULFONIC ACID, BROMIDE ION, Coenzyme B, ... | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | Deposit date: | 2017-02-07 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales. J.Bacteriol., 199, 2017
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7B2H
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![BU of 7b2h by Molmil](/molmil-images/mine/7b2h) | Crystal structure of the methyl-coenzyme M reductase from Methanothermobacter Marburgensis derivatized with xenon | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | Deposit date: | 2020-11-27 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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7B1S
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![BU of 7b1s by Molmil](/molmil-images/mine/7b1s) | Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum at 0.994-A resolution | Descriptor: | (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | Deposit date: | 2020-11-25 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.992 Å) | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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5N28
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![BU of 5n28 by Molmil](/molmil-images/mine/5n28) | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS MONOCLINIC FORM | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | Deposit date: | 2017-02-07 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales. J.Bacteriol., 199, 2017
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5ODC
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![BU of 5odc by Molmil](/molmil-images/mine/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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5ODQ
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![BU of 5odq by Molmil](/molmil-images/mine/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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5ODI
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![BU of 5odi by Molmil](/molmil-images/mine/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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5ODR
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![BU of 5odr by Molmil](/molmil-images/mine/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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3ZHV
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![BU of 3zhv by Molmil](/molmil-images/mine/3zhv) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, post-decarboxylation intermediate from pyruvate (2-hydroxyethyl-ThDP) | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHT
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![BU of 3zht by Molmil](/molmil-images/mine/3zht) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate | Descriptor: | (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHQ
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![BU of 3zhq by Molmil](/molmil-images/mine/3zhq) | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD | Descriptor: | CALCIUM ION, MAGNESIUM ION, MULTIFUNCTIONAL 2-OXOGLUTARATE METABOLISM ENZYME, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHS
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![BU of 3zhs by Molmil](/molmil-images/mine/3zhs) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from alpha-ketoglutarate | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHU
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![BU of 3zhu by Molmil](/molmil-images/mine/3zhu) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, second post-decarboxylation intermediate from 2-oxoadipate | Descriptor: | (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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3ZHR
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![BU of 3zhr by Molmil](/molmil-images/mine/3zhr) | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD showing the active site lid closed | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2012-12-24 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd). Biochem.J., 457, 2014
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6TLK
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![BU of 6tlk by Molmil](/molmil-images/mine/6tlk) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in an open conformation containing NADP+ and methylene-H4MPT | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, CHLORIDE ION, ... | Authors: | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2019-12-02 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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2YID
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![BU of 2yid by Molmil](/molmil-images/mine/2yid) | Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with the enamine-ThDP intermediate | Descriptor: | (4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid, 2-OXOGLUTARATE DECARBOXYLASE, CALCIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | Deposit date: | 2011-05-11 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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2XTA
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![BU of 2xta by Molmil](/molmil-images/mine/2xta) | Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with acetyl-CoA (triclinic form) | Descriptor: | 2-OXOGLUTARATE DECARBOXYLASE, ACETYL COENZYME *A, CALCIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | Deposit date: | 2010-10-05 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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2YIC
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![BU of 2yic by Molmil](/molmil-images/mine/2yic) | Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase (triclinic form) | Descriptor: | 2-OXOGLUTARATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | Deposit date: | 2011-05-11 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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6YUA
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![BU of 6yua by Molmil](/molmil-images/mine/6yua) | |