3SQG
| Crystal structure of a methyl-coenzyme M reductase purified from Black Sea mats | Descriptor: | (17[2]S)-17[2]-methylthio-coenzyme F43, 1-THIOETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Shima, S, Krueger, M, Weinert, T, Demmer, U, Thauer, R.K, Ermler, U. | Deposit date: | 2011-07-05 | Release date: | 2011-11-30 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a methyl-coenzyme M reductase from Black Sea mats that oxidize methane anaerobically. Nature, 481, 2011
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1EZW
| STRUCTURE OF COENZYME F420 DEPENDENT TETRAHYDROMETHANOPTERIN REDUCTASE FROM METHANOPYRUS KANDLERI | Descriptor: | CHLORIDE ION, COENZYME F420-DEPENDENT N5,N10-METHYLENETETRAHYDROMETHANOPTERIN REDUCTASE, MAGNESIUM ION | Authors: | Shima, S, Warkentin, E, Grabarse, W, Thauer, R.K, Ermler, U. | Deposit date: | 2000-05-12 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of coenzyme F(420) dependent methylenetetrahydromethanopterin reductase from two methanogenic archaea. J.Mol.Biol., 300, 2000
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1F07
| STRUCTURE OF COENZYME F420 DEPENDENT TETRAHYDROMETHANOPTERIN REDUCTASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Shima, S, Warkentin, E, Grabarse, W, Thauer, R.K, Ermler, U. | Deposit date: | 2000-05-15 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of coenzyme F(420) dependent methylenetetrahydromethanopterin reductase from two methanogenic archaea. J.Mol.Biol., 300, 2000
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3DAG
| The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | Deposit date: | 2008-05-29 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site. Science, 321, 2008
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3DAF
| The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII cocrystallized with cyanide | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | Deposit date: | 2008-05-29 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site. Science, 321, 2008
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8BGR
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4OMF
| The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member | Descriptor: | CHLORIDE ION, F420-reducing hydrogenase, subunit alpha, ... | Authors: | Vitt, S, Ma, K, Warkentin, E, Moll, J, Pierik, A, Shima, S, Ermler, U. | Deposit date: | 2014-01-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member. J.Mol.Biol., 426, 2014
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6QII
| Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-19 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGT
| The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-12 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGR
| The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-12 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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6ZK8
| Native crystal structure of anaerobic F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution | Descriptor: | Coenzyme F420H2 oxidase (FprA), DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | Authors: | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | Deposit date: | 2020-06-30 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase. Chem.Commun.(Camb.), 56, 2020
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6ZLF
| Aerobic crystal structure of F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution under 125 bars of krypton | Descriptor: | CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FLAVIN MONONUCLEOTIDE, ... | Authors: | Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S. | Deposit date: | 2020-06-30 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase. Chem.Commun.(Camb.), 56, 2020
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3F47
| The Crystal Structure of [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii | Descriptor: | 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Hiromoto, T, Pilak, O, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U. | Deposit date: | 2008-10-31 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex. Febs Lett., 583, 2009
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4JJF
| Crystal structure of FE-hydrogenase from methanothermobacter marburgensis in complex with 2-naphthylisocyanide | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, N-(naphthalen-2-yl)methanimine, iron-guanylyl pyridinol cofactor | Authors: | Tamura, H, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2013-03-07 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of [fe]-hydrogenase in complex with inhibitory isocyanides: implications for the h2 -activation site. Angew.Chem.Int.Ed.Engl., 52, 2013
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4JJG
| Crystal structure of FE-hydrogenase from methanothermobacter marburgensis in complex with toluenesulfonylmethylisocyanide | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine, iron-guanylyl pyridinol cofactor | Authors: | Tamura, H, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2013-03-07 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of [fe]-hydrogenase in complex with inhibitory isocyanides: implications for the h2 -activation site. Angew.Chem.Int.Ed.Engl., 52, 2013
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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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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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6TGE
| NADP dependent methylene-tetrahydromethanopterin dehydrogenase-NADP+-methenyl-H4MPT+ complex | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional NADP-dependent methylenetetrahydromethanopterin dehydrogenase/methylenetetrahydrofolate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Ermler, U, Shima, S. | Deposit date: | 2019-11-15 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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4YT8
| SeMet-labelled HmdII from Methanocaldococcus jannaschii | Descriptor: | H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-03-17 | Release date: | 2015-07-01 | Last modified: | 2015-09-09 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs. Febs J., 282, 2015
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4YT4
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4YT5
| HmdII from Methanocaldococcus jannaschii with bound methylene-tetrahydromethanopterin | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-03-17 | Release date: | 2015-07-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs. Febs J., 282, 2015
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4YTE
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2B0J
| The crystal structure of the apoenzyme of the iron-sulfur-cluster-free hydrogenase (Hmd) | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase | Authors: | Pilak, O, Mamat, B, Vogt, S, Hagemeier, C.H, Thauer, R.K, Shima, S, Vonrhein, C, Warkentin, E, Ermler, U. | Deposit date: | 2005-09-14 | Release date: | 2006-04-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Crystal Structure of the Apoenzyme of the Iron-Sulphur Cluster-free Hydrogenase J.Mol.Biol., 358, 2006
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1JAY
| Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO) with its substrates bound | Descriptor: | COENZYME F420, Coenzyme F420H2:NADP+ Oxidoreductase (FNO), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Warkentin, E, Mamat, B, Thauer, R, Ermler, U, Shima, S. | Deposit date: | 2001-06-01 | Release date: | 2001-12-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of F420H2:NADP+ oxidoreductase with and without its substrates bound. EMBO J., 20, 2001
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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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