4B6C
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![BU of 4b6c by Molmil](/molmil-images/mine/4b6c) | Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide | 分子名称: | 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION | 著者 | Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S. | 登録日 | 2012-08-09 | 公開日 | 2013-01-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis. ACS Chem. Biol., 8, 2013
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4BAE
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![BU of 4bae by Molmil](/molmil-images/mine/4bae) | Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | 分子名称: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | 著者 | Read, J.A, Gingell, H.G, Madhavapeddi, P. | 登録日 | 2012-09-13 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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4BIU
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![BU of 4biu by Molmil](/molmil-images/mine/4biu) | Crystal structure of CpxAHDC (orthorhombic form 1) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SENSOR PROTEIN CPXA, SULFATE ION | 著者 | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | 登録日 | 2013-04-13 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BIV
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![BU of 4biv by Molmil](/molmil-images/mine/4biv) | Crystal structure of CpxAHDC (trigonal form) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA | 著者 | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | 登録日 | 2013-04-13 | 公開日 | 2014-02-12 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BIW
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![BU of 4biw by Molmil](/molmil-images/mine/4biw) | Crystal structure of CpxAHDC (hexagonal form) | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SENSOR PROTEIN CPXA, ... | 著者 | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | 登録日 | 2013-04-13 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BIX
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![BU of 4bix by Molmil](/molmil-images/mine/4bix) | Crystal structure of CpxAHDC (monoclinic form 1) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SENSOR PROTEIN CPXA, ... | 著者 | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | 登録日 | 2013-04-13 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BIY
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![BU of 4biy by Molmil](/molmil-images/mine/4biy) | Crystal structure of CpxAHDC (monoclinic form 2) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SENSOR PROTEIN CPXA, SULFATE ION | 著者 | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | 登録日 | 2013-04-13 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BIZ
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![BU of 4biz by Molmil](/molmil-images/mine/4biz) | |
4CB0
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![BU of 4cb0 by Molmil](/molmil-images/mine/4cb0) | Crystal structure of CpxAHDC in complex with ATP (hexagonal form) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA, SULFATE ION | 著者 | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | 登録日 | 2013-10-09 | 公開日 | 2014-02-12 | 最終更新日 | 2017-07-12 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4CE1
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![BU of 4ce1 by Molmil](/molmil-images/mine/4ce1) | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | 分子名称: | 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Parry-Morris, S, Prodromou, C. | 登録日 | 2013-11-08 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90. Org.Biomol.Chem., 12, 2014
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4CE2
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![BU of 4ce2 by Molmil](/molmil-images/mine/4ce2) | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | 分子名称: | (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Parry-Morris, S, Prodromou, C. | 登録日 | 2013-11-08 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90. Org. Biomol. Chem., 12, 2014
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4CE3
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![BU of 4ce3 by Molmil](/molmil-images/mine/4ce3) | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | 分子名称: | 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | 著者 | Roe, S.M, Parry-Morris, S, Prodromou, C. | 登録日 | 2013-11-08 | 公開日 | 2014-01-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90. Org.Biomol.Chem., 12, 2014
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4CTI
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![BU of 4cti by Molmil](/molmil-images/mine/4cti) | Escherichia coli EnvZ histidine kinase catalytic part fused to Archaeoglobus fulgidus Af1503 HAMP domain | 分子名称: | OSMOLARITY SENSOR PROTEIN ENVZ, AF1503 | 著者 | Ferris, H.U, Coles, M, Lupas, A.N, Hartmann, M.D. | 登録日 | 2014-03-13 | 公開日 | 2014-04-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.847 Å) | 主引用文献 | Crystallographic Snapshot of the Escherichia Coli Envz Histidine Kinase in an Active Conformation. J.Struct.Biol., 186, 2014
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4DUH
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![BU of 4duh by Molmil](/molmil-images/mine/4duh) | Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor | 分子名称: | 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B | 著者 | Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. | 登録日 | 2012-02-22 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors. J.Med.Chem., 55, 2012
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4DZY
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![BU of 4dzy by Molmil](/molmil-images/mine/4dzy) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP | 分子名称: | (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-03-01 | 公開日 | 2013-03-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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4E00
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![BU of 4e00 by Molmil](/molmil-images/mine/4e00) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP | 分子名称: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-03-01 | 公開日 | 2013-03-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP To be Published
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4E01
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![BU of 4e01 by Molmil](/molmil-images/mine/4e01) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP | 分子名称: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-03-02 | 公開日 | 2013-03-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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4E02
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![BU of 4e02 by Molmil](/molmil-images/mine/4e02) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP | 分子名称: | (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-03-02 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1547 Å) | 主引用文献 | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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4GCZ
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![BU of 4gcz by Molmil](/molmil-images/mine/4gcz) | Structure of a blue-light photoreceptor | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Blue-light photoreceptor, Sensor protein fixL, ... | 著者 | Diensthuber, R.P, Bommer, M, Moglich, A. | 登録日 | 2012-07-31 | 公開日 | 2013-06-19 | 最終更新日 | 2017-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Full-length structure of a sensor histidine kinase pinpoints coaxial coiled coils as signal transducers and modulators. Structure, 21, 2013
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4GEE
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![BU of 4gee by Molmil](/molmil-images/mine/4gee) | Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | 著者 | Bensen, D.C, Chen, Z, Tari, L.W. | 登録日 | 2012-08-01 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4GFH
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![BU of 4gfh by Molmil](/molmil-images/mine/4gfh) | Topoisomerase II-DNA-AMPPNP complex | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*AP*CP*TP*GP*CP*TP*AP*C)-3'), ... | 著者 | Schmidt, B.H, Osheroff, N, Berger, J.M. | 登録日 | 2012-08-03 | 公開日 | 2012-10-03 | 最終更新日 | 2019-07-31 | 実験手法 | X-RAY DIFFRACTION (4.408 Å) | 主引用文献 | Structure of a topoisomerase II-DNA-nucleotide complex reveals a new control mechanism for ATPase activity. Nat.Struct.Mol.Biol., 19, 2012
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4GFN
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![BU of 4gfn by Molmil](/molmil-images/mine/4gfn) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic | 分子名称: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | 登録日 | 2012-08-03 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4GGL
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![BU of 4ggl by Molmil](/molmil-images/mine/4ggl) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | 分子名称: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | 登録日 | 2012-08-06 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4GT8
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![BU of 4gt8 by Molmil](/molmil-images/mine/4gt8) | |
4H7Q
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![BU of 4h7q by Molmil](/molmil-images/mine/4h7q) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with alpha-ketoisocaproic acid and ADP | 分子名称: | 2-OXO-4-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-09-20 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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