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5OK4
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BU of 5ok4 by Molmil
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
3H65
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BU of 3h65 by Molmil
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme in Complex with Methylenetetrahydromethanopterin
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, ...
Authors:Hiromoto, T, Warkentin, E, Shima, S, Ermler, U.
Deposit date:2009-04-23
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The crystal structure of an [Fe]-hydrogenase-substrate complex reveals the framework for H2 activation.
Angew.Chem.Int.Ed.Engl., 48, 2009
2B0J
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BU of 2b0j by Molmil
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:2024-03-13
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
4JJF
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BU of 4jjf by Molmil
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
4JJG
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BU of 4jjg by Molmil
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
4YT4
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BU of 4yt4 by Molmil
Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii
Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, iron-guanylyl pyridinol cofactor
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 (2.2 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YT8
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BU of 4yt8 by Molmil
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
4YT5
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BU of 4yt5 by Molmil
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:2015-09-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YT2
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BU of 4yt2 by Molmil
Hmd II from Methanocaldococcus jannaschii
Descriptor: DI(HYDROXYETHYL)ETHER, 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 (1.65 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
3DAG
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BU of 3dag by Molmil
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
3DAF
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BU of 3daf by Molmil
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
3F46
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BU of 3f46 by Molmil
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ...
Authors:Hiromoto, T, Vogt, S, 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 (1.95 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
3F47
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BU of 3f47 by Molmil
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
6GGU
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BU of 6ggu by Molmil
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
6HAE
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BU of 6hae by Molmil
Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP cofactor and methenyl-tetrahydromethanopterin (close form B)
Descriptor: 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, 5,10-methenyltetrahydromethanopterin hydrogenase, CHLORIDE ION, ...
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 (1.85 Å)
Cite:The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
6HAV
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BU of 6hav by Molmil
Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP and methenyl-tetrahydromethanopterin (close form A) at 1.06 A resolution
Descriptor: 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, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ...
Authors:Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
Deposit date:2018-08-08
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
6HUZ
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BU of 6huz by Molmil
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
6HUY
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BU of 6huy by Molmil
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
6HAC
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BU of 6hac by Molmil
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
6HUX
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BU of 6hux by Molmil
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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