3ZHU
 
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, second post-decarboxylation intermediate from 2-oxoadipate | | 分子名称: | (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, ... | | 著者 | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2012-12-24 | | 公開日 | 2013-11-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from alpha-ketoglutarate | | 分子名称: | (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, ... | | 著者 | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2012-12-24 | | 公開日 | 2013-11-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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
 | | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD showing the active site lid closed | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2012-12-24 | | 公開日 | 2013-11-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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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6GGU
 | | 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
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5LBX
 | | Structure of the T175V Etr1p mutant in the trigonal form P312 in complex with NADP and crotonyl-CoA | | 分子名称: | CHLORIDE ION, CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, ... | | 著者 | Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J. | | 登録日 | 2016-06-17 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A conserved threonine prevents self-intoxication of enoyl-thioester reductases.
Nat. Chem. Biol., 13, 2017
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6R2D
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester, followed by temperature increase | | 分子名称: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2019-03-15 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6I2Q
 | | Crystal structure of the wild-type SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), in complex with GarA | | 分子名称: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | 著者 | Wagner, T, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2018-11-01 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
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6I2S
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (R802A) in complex with GarA, following 2-oxoglutarate soak | | 分子名称: | (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, Glycogen accumulation regulator GarA, ... | | 著者 | Wagner, T, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2018-11-01 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
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6I2R
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), mutant R802A, in complex with GarA | | 分子名称: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | | 著者 | Wagner, T, Bellinzoni, M, Alzari, P.M. | | 登録日 | 2018-11-01 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
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6R2C
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester (PESP) | | 分子名称: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2019-03-15 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6R2B
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate | | 分子名称: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2019-03-15 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6TM3
 | | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT | | 分子名称: | 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ... | | 著者 | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | | 登録日 | 2019-12-03 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
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6R29
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid, MAGNESIUM ION, ... | | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2019-03-15 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6R2A
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate phosphonoethyl ester (PESP) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, MAGNESIUM ION, ... | | 著者 | Wagner, T, Alzari, P.M, Bellinzoni, M. | | 登録日 | 2019-03-15 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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4X3F
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5ODR
 | | 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 | 2024-10-16 | | 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
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5ODI
 | | 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
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6HR8
 | | 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
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5O4M
 | | 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
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5O4N
 | | 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
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5A8R
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5ODQ
 | | 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 | 2024-11-06 | | 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
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5A0Y
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5A8K
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5A8W
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