5M06
| Crystal structure of Mycobacterium tuberculosis PknI kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Serine/threonine-protein kinase PknI | Authors: | Wagner, T, Lisa, M.N, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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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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6YTT
| CO-dehydrogenase/Acetyl-CoA synthase (CODH/ACS) from Clostridium autoethanogenum at 3.0-A resolution | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CO dehydrogenase/acetyl-CoA synthase complex, beta subunit, ... | Authors: | Wagner, T, Lemaire, O.N. | Deposit date: | 2020-04-24 | Release date: | 2020-11-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Gas channel rerouting in a primordial enzyme: Structural insights of the carbon-monoxide dehydrogenase/acetyl-CoA synthase complex from the acetogen Clostridium autoethanogenum. Biochim Biophys Acta Bioenerg, 1862, 2020
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6YUA
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6TM3
| Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT | Descriptor: | 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ... | Authors: | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2019-12-03 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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8P5R
| Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA | Descriptor: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | Authors: | Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2023-05-24 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (4.562 Å) | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase. Nat Commun, 14, 2023
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6YU9
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6YKB
| [Fe]-hydrogenase from Methanolacinia paynteri in complex with GMP at 1.55-A resolution | Descriptor: | 5,10-methenyltetrahydromethanopterin [Fe]-hydrogenase, FORMIC ACID, GLYCEROL, ... | Authors: | Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S. | Deposit date: | 2020-04-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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6YKA
| Asymmetric [Fe]-hydrogenase from Methanolacinia paynteri apo and in complex with FeGP at 2.1-A resolution | Descriptor: | 1,2-ETHANEDIOL, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ... | Authors: | Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S. | Deposit date: | 2020-04-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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6YK9
| [Fe]-hydrogenase from Methanolacinia paynteri with bound guanylylpyridinol at 1.7-A resolution | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ... | Authors: | Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S. | Deposit date: | 2020-04-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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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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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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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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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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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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7B2C
| Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum gassed with xenon | Descriptor: | (2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | Deposit date: | 2020-11-26 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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5T5I
| TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 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, CALCIUM ION, GLYCEROL, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-08-31 | Release date: | 2016-10-19 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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2XT6
| Crystal structure of Mycobacterium smegmatis alpha-ketoglutarate decarboxylase homodimer (orthorhombic 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: | 2010-10-05 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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5T61
| TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 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, CHLORIDE ION, HYDROSULFURIC ACID, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-09-01 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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5A8R
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5A0Y
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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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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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2Y0P
| Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with the enamine-ThDP intermediate and acetyl-CoA | 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, ACETYL COENZYME *A, ... | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | Deposit date: | 2010-12-07 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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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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