4IE4
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![BU of 4ie4 by Molmil](/molmil-images/mine/4ie4) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | 分子名称: | 8-hydroxyquinoline-5-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2012-12-13 | 公開日 | 2013-04-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5048 Å) | 主引用文献 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
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4IW3
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![BU of 4iw3 by Molmil](/molmil-images/mine/4iw3) | Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu) | 分子名称: | Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Scotti, J.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-01-23 | 公開日 | 2014-01-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.697 Å) | 主引用文献 | Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation Proc.Natl.Acad.Sci.USA, 111, 2014
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4J0Q
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![BU of 4j0q by Molmil](/molmil-images/mine/4j0q) | Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ... | 著者 | Scotti, J.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-01-31 | 公開日 | 2014-02-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation Proc.Natl.Acad.Sci.USA, 111, 2014
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4J25
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4JHT
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![BU of 4jht by Molmil](/molmil-images/mine/4jht) | Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | 分子名称: | 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-03-05 | 公開日 | 2013-06-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation. Chem Sci, 4, 2013
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4IE5
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![BU of 4ie5 by Molmil](/molmil-images/mine/4ie5) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6) | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ... | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2012-12-13 | 公開日 | 2013-04-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
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4IE0
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![BU of 4ie0 by Molmil](/molmil-images/mine/4ie0) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA) | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2012-12-13 | 公開日 | 2013-04-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
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4JAA
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![BU of 4jaa by Molmil](/molmil-images/mine/4jaa) | Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)LEU peptide | 分子名称: | CONSENSUS ANKYRIN REPEAT DOMAIN-(d)LEU, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | 著者 | Scotti, J.S, Ge, W, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-02-18 | 公開日 | 2014-02-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure of an oxygenase in complex with substrate To be Published
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8B2T
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![BU of 8b2t by Molmil](/molmil-images/mine/8b2t) | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | 分子名称: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | 著者 | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | 登録日 | 2022-09-14 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66, 2023
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2A7K
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![BU of 2a7k by Molmil](/molmil-images/mine/2a7k) | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | 分子名称: | CarB | 著者 | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | 登録日 | 2005-07-05 | 公開日 | 2005-08-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis. J.Biol.Chem., 280, 2005
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2A81
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![BU of 2a81 by Molmil](/molmil-images/mine/2a81) | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | 分子名称: | ACETYL COENZYME *A, BICINE, CarB | 著者 | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | 登録日 | 2005-07-07 | 公開日 | 2005-08-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis. J.Biol.Chem., 280, 2005
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2A1X
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![BU of 2a1x by Molmil](/molmil-images/mine/2a1x) | Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | 著者 | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2005-06-21 | 公開日 | 2005-08-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease J.Biol.Chem., 280, 2005
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1GQ6
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![BU of 1gq6 by Molmil](/molmil-images/mine/1gq6) | PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS | 分子名称: | MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE | 著者 | Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S. | 登録日 | 2001-11-20 | 公開日 | 2002-06-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of a Hydrolytic Enzyme in Clavulanic Acid Biosynthesis Biochem.J., 366, 2002
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1GVK
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![BU of 1gvk by Molmil](/molmil-images/mine/1gvk) | Porcine pancreatic elastase acyl enzyme at 0.95 A resolution | 分子名称: | CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ... | 著者 | Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J. | 登録日 | 2002-02-14 | 公開日 | 2002-07-19 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution. J.Biol.Chem., 277, 2002
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1GQ7
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![BU of 1gq7 by Molmil](/molmil-images/mine/1gq7) | PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS | 分子名称: | MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE | 著者 | Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S. | 登録日 | 2001-11-20 | 公開日 | 2002-06-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis. Biochem. J., 366, 2002
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1H2K
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![BU of 1h2k by Molmil](/molmil-images/mine/1h2k) | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | 分子名称: | FACTOR INHIBITING HIF1, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ... | 著者 | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | 登録日 | 2002-08-12 | 公開日 | 2002-11-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1H2M
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![BU of 1h2m by Molmil](/molmil-images/mine/1h2m) | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | 分子名称: | FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ... | 著者 | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | 登録日 | 2002-08-12 | 公開日 | 2002-11-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1H2N
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![BU of 1h2n by Molmil](/molmil-images/mine/1h2n) | Factor Inhibiting HIF-1 alpha | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | 著者 | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | 登録日 | 2002-08-12 | 公開日 | 2002-11-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1H2L
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![BU of 1h2l by Molmil](/molmil-images/mine/1h2l) | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | 分子名称: | 2-OXOGLUTARIC ACID, FACTOR INHIBITING HIF1, FE (II) ION, ... | 著者 | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | 登録日 | 2002-08-12 | 公開日 | 2002-11-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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5LCF
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![BU of 5lcf by Molmil](/molmil-images/mine/5lcf) | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30) | 分子名称: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ... | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-21 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LCH
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![BU of 5lch by Molmil](/molmil-images/mine/5lch) | VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42) | 分子名称: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-21 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LCA
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![BU of 5lca by Molmil](/molmil-images/mine/5lca) | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17) | 分子名称: | 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ... | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-20 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LSQ
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![BU of 5lsq by Molmil](/molmil-images/mine/5lsq) | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ethylene Forming Enzyme, ... | 著者 | Zhang, Z, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-09-05 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LM6
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![BU of 5lm6 by Molmil](/molmil-images/mine/5lm6) | VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | 分子名称: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | 著者 | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-07-29 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LUN
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![BU of 5lun by Molmil](/molmil-images/mine/5lun) | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - P1 ultra-high resolution crystal form in complex with iron, N-oxalylglycine and arginine | 分子名称: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, FE (III) ION, ... | 著者 | McDonough, M.A, Zhang, Z, Schofield, C.J. | 登録日 | 2016-09-09 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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