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6HF7
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Crystal structure of the adenylate kinase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
分子名称: Adenylate kinase, GLYCEROL, MAGNESIUM ION, ...
著者Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E.
登録日2018-08-21
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Protein crystal structure determination with the crystallophore, a nucleating and phasing agent.
J.Appl.Crystallogr., 52, 2019
5N1Q
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METHYL-COENZYME M REDUCTASE III FROM METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS AT 1.9 A RESOLUTION
分子名称: 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ...
著者Wagner, T, Wegner, C.E, Ermler, U, Shima, S.
登録日2017-02-06
公開日2017-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
5N2A
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METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS TRIGONAL FORM
分子名称: 1-THIOETHANESULFONIC ACID, BROMIDE ION, Coenzyme B, ...
著者Wagner, T, Wegner, C.E, Ermler, U, Shima, S.
登録日2017-02-07
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
5O4N
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Apo HcgC from Methanococcus maripaludis soaked with SAH and pyridinol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ...
著者Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S.
登録日2017-05-29
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O4J
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HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol
分子名称: (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, ...
著者Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S.
登録日2017-05-29
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N28
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BU of 5n28 by Molmil
METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS MONOCLINIC FORM
分子名称: 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ...
著者Wagner, T, Wegner, C.E, Ermler, U, Shima, S.
登録日2017-02-07
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales.
J.Bacteriol., 199, 2017
5O4M
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Fresh crystals of HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ...
著者Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S.
登録日2017-05-29
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ODC
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Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus at 2.3 A resolution
分子名称: 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, ...
著者Wagner, T, Koch, J, Ermler, U, Shima, S.
登録日2017-07-05
公開日2017-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
5ODQ
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Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with bromoethanesulfonate.
分子名称: 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, ...
著者Wagner, T, Koch, J, Ermler, U, Shima, S.
登録日2017-07-06
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
5ODH
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Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 3.5 minutes
分子名称: 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, ...
著者Wagner, T, Koch, J, Ermler, U, Shima, S.
登録日2017-07-05
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
5O4H
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BU of 5o4h by Molmil
HcgC from Methanococcus maripaludis cocrystallized with SAM and pyridinol
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, HcgC, ...
著者Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S.
登録日2017-05-29
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ODI
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BU of 5odi by Molmil
Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus cocrystallized with CoM-SH
分子名称: 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, ...
著者Wagner, T, Koch, J, Ermler, U, Shima, S.
登録日2017-07-05
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
5OK4
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BU of 5ok4 by Molmil
Crystal structure of native [Fe]-hydrogenase Hmd from Methanothermobacter marburgensis inactivated by O2.
分子名称: 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, FE (III) ION, ...
著者Wagner, T, Huang, G, Bill, E, Ermler, U, Ataka, K, Shima, S.
登録日2017-07-25
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Dioxygen Sensitivity of [Fe]-Hydrogenase in the Presence of Reducing Substrates.
Angew. Chem. Int. Ed. Engl., 57, 2018
5ODR
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BU of 5odr by Molmil
Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 2 minutes.
分子名称: 1-THIOETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ...
著者Wagner, T, Koch, J, Ermler, U, Shima, S.
登録日2017-07-06
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
4YT5
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BU of 4yt5 by Molmil
HmdII from Methanocaldococcus jannaschii with bound methylene-tetrahydromethanopterin
分子名称: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-03-17
公開日2015-07-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YTE
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BU of 4yte by Molmil
N-terminal domain of HmdIII from Methanocaldococcus jannaschii
分子名称: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ0715
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-03-17
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献N-terminal domain of HmdIII from Methanocaldococcus jannaschii
to be published
4YT2
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Hmd II from Methanocaldococcus jannaschii
分子名称: DI(HYDROXYETHYL)ETHER, H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-03-17
公開日2015-07-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YT8
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SeMet-labelled HmdII from Methanocaldococcus jannaschii
分子名称: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-03-17
公開日2015-07-01
最終更新日2015-09-09
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YT4
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Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii
分子名称: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, iron-guanylyl pyridinol cofactor
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-03-17
公開日2015-07-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
6EP8
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BU of 6ep8 by Molmil
InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Wagner, T, Voegeli, B, Rosenthal, R.G, Stoffel, G, Shima, S, Kiefer, P, Cortina, N, Erb, T.J.
登録日2017-10-11
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献InhA, the enoyl-thioester reductase fromMycobacterium tuberculosisforms a covalent adduct during catalysis.
J. Biol. Chem., 293, 2018
6GGU
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BU of 6ggu by Molmil
Crystal structure of native FE-hydrogenase from Methanothermobacter marburgensis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ...
著者Wagner, T, Huang, G, Ermler, U, Shima, S.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Self-protection of the catalytic iron center of a methanogenic [Fe]-hydrogenase via a dynamic dimer-to-hexamer transformation
To Be Published
3ZFS
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BU of 3zfs by Molmil
Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate
分子名称: CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ...
著者Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J.
登録日2012-12-12
公開日2013-03-06
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy
Elife, 2, 2013
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
分子名称: 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, ...
著者Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
登録日2018-08-08
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
6HR8
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BU of 6hr8 by Molmil
HMG-CoA reductase from Methanothermococcus thermolithotrophicus in complex with NADPH at 2.9 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, HMG-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Wagner, T, Voegeli, B, Erb, T.J, Shima, S.
登録日2018-09-26
公開日2019-02-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
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)
分子名称: 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, ...
著者Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
登録日2018-08-07
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019

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