Author results

1T24
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PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED WITH NAD+ AND 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID
分子名称:L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, ...
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T25
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PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID
分子名称:L-lactate dehydrogenase, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, ...
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T26
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PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
分子名称:L-lactate dehydrogenase, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-20
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2C
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PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED WITH NADH
分子名称:L-lactate dehydrogenase, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2D
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PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE COMPLEXED WITH NAD+ AND OXALATE
分子名称:L-lactate dehydrogenase, OXALATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2E
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PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE S245A, A327P MUTANT COMPLEXED WITH NADH AND OXAMATE
分子名称:L-lactate dehydrogenase, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, ...
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2F
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HUMAN B LACTATE DEHYDROGENASE COMPLEXED WITH NAD+ AND 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID
分子名称:L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID
著者Cameron, A., Read, J., Tranter, R., Winter, V.J., Sessions, R.B., Brady, R.L., Vivas, L., Easton, A., Kendrick, H., Croft, S.L., Barros, D., Lavandera, J.L., Martin, J.J., Risco, F., Garcia-Ochoa, S., Gamo, F.J., Sanz, L., Leon, L., Ruiz, J.R., Gabarro, R., Mallo, A., De Las Heras, F.G.
登録日2004-04-21
公開日2004-05-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
5AGR
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CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT (S)-3-(AMINOMETHYL)-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
分子名称:LEUCINE--TRNA LIGASE, METHIONINE, LEUCINE, ...
著者Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGS
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CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
分子名称:LEUCYL-TRNA SYNTHETASE, METHIONINE, 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE
著者Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
登録日2015-02-03
公開日2016-03-09
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGT
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CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT (S)-3-(AMINOMETHYL)-4-CHLORO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
分子名称:LEUCINE--TRNA LIGASE, METHIONINE, 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, ...
著者Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
4YFM
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CLASS A BETA-LACTAMASE FROM MYCOBACTERIUM ABSCESSUS
分子名称:Beta-lactamase, ACETATE ION, GLYCEROL
著者Soroka, D., Li de la Sierra-Gallay, I., Dubee, V., van Tilbeurgh, H., Arthur, M.
登録日2015-02-25
公開日2015-07-22
最終更新日2015-08-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Hydrolysis of Clavulanate by Mycobacterium tuberculosis beta-Lactamase BlaC Harboring a Canonical SDN Motif.
Antimicrob.Agents Chemother., 59, 2015
5JFO
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STRUCTURE OF THE M.TUBERCULOSIS ENOYL-REDUCTASE INHA IN COMPLEX WITH GSK625
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
著者Gulten, G., Sacchettini, J.C.
登録日2016-04-19
公開日2016-08-10
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.
Ebiomedicine, 8, 2016
5OIC
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INHA (T2A MUTANT) COMPLEXED WITH (4-((1H-PYRAZOL-1-YL)METHYL)PHENYL)METHANOL
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, [4-(pyrazol-1-ylmethyl)phenyl]methanol, ...
著者Convery, M.A.
登録日2017-07-18
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIF
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INHA (T2A MUTANT) COMPLEXED WITH 1-BENZYL-3-METHYL-1H-PYRAZOL-5-AMINE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-methyl-2-(phenylmethyl)pyrazol-3-amine
著者Convery, M.A.
登録日2017-07-18
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIL
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INHA (T2A MUTANT) COMPLEXED WITH 1-CYCLOHEXYL-3-(PYRIDIN-3-YLMETHYL)UREA
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIM
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INHA (T2A MUTANT) COMPLEXED WITH ETHYL 2-METHYL-4,5,6,7-TETRAHYDROBENZO[D]THIAZOLE-6-CARBOXYLATE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIN
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INHA (T2A MUTANT) COMPLEXED WITH N-(1-(PYRIMIDIN-2-YL)PIPERIDIN-4-YL)ACETAMIDE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIO
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INHA (T2A MUTANT) COMPLEXED WITH 5-((3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL)-N-ETHYL-1,3,4-THIADIAZOL-2-AMINE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIP
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INHA (T2A MUTANT) COMPLEXED WITH 1-(PYRIDIN-3-YLMETHYL)-3-(1-(PYRIMIDIN-2-YL)PIPERIDIN-4-YL)UREA
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIQ
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INHA (T2A MUTANT) COMPLEXED WITH 2,6-DIMETHYL-3-PHENYLPYRIDIN-4(1H)-ONE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIR
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INHA (T2A MUTANT) COMPLEXED WITH 2,6-DIMETHYL-3-(1-(PYRIMIDIN-2-YL)PIPERIDIN-4-YL)PYRIDIN-4(1H)-ONE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIS
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INHA (T2A MUTANT) COMPLEXED WITH 4-((5-AMINO-3-METHYL-1H-PYRAZOL-1-YL)METHYL)-N-(2-CHLORO-4-FLUOROBENZYL)BENZAMIDE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIT
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INHA (T2A MUTANT) COMPLEXED WITH 5-((5-AMINO-3-METHYL-1H-PYRAZOL-1-YL)METHYL)-N-(1-(2-CHLORO-6-FLUOROBENZYL)-1H-PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
4RMF
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BIOCHEMICAL AND STRUCTURAL CHARACTERIZATION OF MYCOBACTERIAL ASPARTYL-TRNA SYNTHETASE ASPS, A PROMISING TB DRUG TARGET
分子名称:Aspartate--tRNA(Asp/Asn) ligase, 2,2-bis(hydroxymethyl)propane-1,3-diol, FORMIC ACID
著者Cox, J.A.G., Gurcha, S.S., Veeraraghavan, U., Besra, G.S., Futterer, K.
登録日2014-10-21
公開日2014-11-19
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target.
Plos One, 9, 2014
5DTP
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CRYSTAL STRUCTURE OF M. TUBERCULOSIS ECHA6 (APO, TRIGONAL CRYSTAL FORM)
分子名称:Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G., Besra, G.S., Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2016-09-14
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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