7B2C
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![BU of 7b2c by Molmil](/molmil-images/mine/7b2c) | Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum gassed with xenon | 分子名称: | (2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Wagner, T, Lemaire, O.N, Engilberge, S. | 登録日 | 2020-11-26 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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7B1S
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![BU of 7b1s by Molmil](/molmil-images/mine/7b1s) | Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum at 0.994-A resolution | 分子名称: | (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Wagner, T, Lemaire, O.N, Engilberge, S. | 登録日 | 2020-11-25 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.992 Å) | 主引用文献 | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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7B2H
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![BU of 7b2h by Molmil](/molmil-images/mine/7b2h) | Crystal structure of the methyl-coenzyme M reductase from Methanothermobacter Marburgensis derivatized with xenon | 分子名称: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Wagner, T, Lemaire, O.N, Engilberge, S. | 登録日 | 2020-11-27 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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4X3F
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8P5R
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![BU of 8p5r by Molmil](/molmil-images/mine/8p5r) | Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA | 分子名称: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | 著者 | Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M. | 登録日 | 2023-05-24 | 公開日 | 2023-08-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (4.562 Å) | 主引用文献 | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase. Nat Commun, 14, 2023
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5T5I
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![BU of 5t5i by Molmil](/molmil-images/mine/5t5i) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | 分子名称: | 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, ... | 著者 | Wagner, T, Ermler, U, Shima, S. | 登録日 | 2016-08-31 | 公開日 | 2016-10-19 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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5T61
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![BU of 5t61 by Molmil](/molmil-images/mine/5t61) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A | 分子名称: | 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, ... | 著者 | Wagner, T, Ermler, U, Shima, S. | 登録日 | 2016-09-01 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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6YKB
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![BU of 6ykb by Molmil](/molmil-images/mine/6ykb) | [Fe]-hydrogenase from Methanolacinia paynteri in complex with GMP at 1.55-A resolution | 分子名称: | 5,10-methenyltetrahydromethanopterin [Fe]-hydrogenase, FORMIC ACID, GLYCEROL, ... | 著者 | Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S. | 登録日 | 2020-04-06 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 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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6YKA
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![BU of 6yka by Molmil](/molmil-images/mine/6yka) | Asymmetric [Fe]-hydrogenase from Methanolacinia paynteri apo and in complex with FeGP at 2.1-A resolution | 分子名称: | 1,2-ETHANEDIOL, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ... | 著者 | Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S. | 登録日 | 2020-04-06 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 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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6YK9
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![BU of 6yk9 by Molmil](/molmil-images/mine/6yk9) | [Fe]-hydrogenase from Methanolacinia paynteri with bound guanylylpyridinol at 1.7-A resolution | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ... | 著者 | Wagner, T, Huang, G, Arriaza-Gallardo, F.J, Shima, S. | 登録日 | 2020-04-06 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 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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6YU9
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6TLK
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![BU of 6tlk by Molmil](/molmil-images/mine/6tlk) | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in an open conformation containing NADP+ and methylene-H4MPT | 分子名称: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, CHLORIDE ION, ... | 著者 | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | 登録日 | 2019-12-02 | 公開日 | 2020-02-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 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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5M06
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![BU of 5m06 by Molmil](/molmil-images/mine/5m06) | Crystal structure of Mycobacterium tuberculosis PknI kinase domain | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Serine/threonine-protein kinase PknI | 著者 | Wagner, T, Lisa, M.N, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M. | 登録日 | 2016-10-03 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation. FEBS J., 284, 2017
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5T5M
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![BU of 5t5m by Molmil](/molmil-images/mine/5t5m) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRIGONAL FORM AT 2.5 A. | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, GLYCEROL, HYDROSULFURIC ACID, ... | 著者 | Wagner, T, Ermler, U, Shima, S. | 登録日 | 2016-08-31 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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3ZHR
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![BU of 3zhr by Molmil](/molmil-images/mine/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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3ZHV
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![BU of 3zhv by Molmil](/molmil-images/mine/3zhv) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, post-decarboxylation intermediate from pyruvate (2-hydroxyethyl-ThDP) | 分子名称: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, 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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3ZHT
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![BU of 3zht by Molmil](/molmil-images/mine/3zht) | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate | 分子名称: | (5S)-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 (2.15 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
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![BU of 3zhs by Molmil](/molmil-images/mine/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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3ZHQ
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![BU of 3zhq by Molmil](/molmil-images/mine/3zhq) | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD | 分子名称: | CALCIUM ION, MAGNESIUM ION, MULTIFUNCTIONAL 2-OXOGLUTARATE METABOLISM ENZYME, ... | 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 (2.5 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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3ZHU
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![BU of 3zhu by Molmil](/molmil-images/mine/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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5LB9
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![BU of 5lb9 by Molmil](/molmil-images/mine/5lb9) | Structure of the T175V Etr1p mutant in the monoclinic form P21 | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ... | 著者 | Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J. | 登録日 | 2016-06-15 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 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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5LBX
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![BU of 5lbx by Molmil](/molmil-images/mine/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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6R2C
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![BU of 6r2c by Molmil](/molmil-images/mine/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
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![BU of 6r2b by Molmil](/molmil-images/mine/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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6R29
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![BU of 6r29 by Molmil](/molmil-images/mine/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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