Author results

2V0C
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LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A SULPHAMOYL ANALOGUE OF LEUCYL-ADENYLATE IN THE SYNTHETIC SITE AND AN ADDUCT OF AMP WITH 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE (AN2690) IN THE EDITING SITE
Descriptor:AMINOACYL-TRNA SYNTHETASE, LEUCINE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE, ...
Authors:Rock, F., Mao, W., Yaremchuk, A., Tukalo, M., Crepin, T., Zhou, H., Zhang, Y., Hernandez, V., Akama, T., Baker, S., Plattner, J., Shapiro, L., Martinis, S.A., Benkovic, S.J., Cusack, S., Alley, M.R.K.
Deposit date:2007-05-14
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
2V0G
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LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A TRNA(LEU) TRANSCRIPT WITH 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) FORMING AN ADDUCT TO THE RIBOSE OF ADENOSINE- 76 IN THE ENZYME EDITING SITE.
Descriptor:AMINOACYL-TRNA SYNTHETASE, TRNALEU, LEUCINE, ...
Authors:Rock, F., Mao, W., Yaremchuk, A., Tukalo, M., Crepin, T., Zhou, H., Zhang, Y., Hernandez, V., Akama, T., Baker, S., Plattner, J., Shapiro, L., Martinis, S.A., Benkovic, S.J., Cusack, S., Alley, M.R.K.
Deposit date:2007-05-14
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
2WFD
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STRUCTURE OF THE HUMAN CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
Descriptor:LEUCYL-TRNA SYNTHETASE, CYTOPLASMIC
Authors:Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
Deposit date:2009-04-03
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2WFE
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STRUCTURE OF THE CANDIDA ALBICANS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
Descriptor:CYTOSOLIC LEUCYL-TRNA SYNTHETASE
Authors:Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
Deposit date:2009-04-04
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
2WFG
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STRUCTURE OF THE CANDIDA ALBICANS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN BOUND TO A BENZOXABOROLE-AMP ADDUCT
Descriptor:CYTOSOLIC LEUCYL-TRNA SYNTHETASE, [(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE
Authors:Seiradake, E., Mao, W., Hernandez, V., Baker, S.J., Plattner, J.J., Alley, M.R.K., Cusack, S.
Deposit date:2009-04-05
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of the Human and Fungal Cytosolic Leucyl-tRNA Synthetase Editing Domains: A Structural Basis for the Rational Design of Antifungal Benzoxaboroles.
J.Mol.Biol., 390, 2009
3ZJT
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TERNARY COMPLEX OF E.COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU)574 AND THE BENZOXABOROLE AN3017 IN THE EDITING CONFORMATION
Descriptor:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
Authors:Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
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TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3016 IN THE EDITING CONFORMATION
Descriptor:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
Authors:Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJV
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TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3213 IN THE EDITING CONFORMATION
Descriptor:LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
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
Descriptor:LEUCINE--TRNA LIGASE, METHIONINE, LEUCINE, ...
Authors: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.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor:LEUCYL-TRNA SYNTHETASE, METHIONINE, 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE
Authors: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.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor:LEUCINE--TRNA LIGASE, METHIONINE, 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, ...
Authors: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.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOG
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CRYSTAL STRUCTURE OF HTE CRYPTOSPORIDIUM MURIS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN COMPLEX WITH A POST-TRANSFER EDITING ANALOGUE OF NORVALINE (NV2AA)
Descriptor:LEUCYL-TRNA SYNTHETASE, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 1,2-ETHANEDIOL, ...
Authors:Palencia, A., Liu, R.J., Lukarska, M., Gut, J., Bougdour, A., Touquet, B., Wang, E.D., Alley, M.R.K., Rosenthal, P.J., Hakimi, M.A., Cusack, S.
Deposit date:2015-11-20
Release date:2016-08-03
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOL
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CRYSTAL STRUCTURE OF THE CRYPTOSPORIDIUM MURIS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN COMPLEX WITH A POST-TRANSFER EDITING ANALOGUE OF ISOEUCINE (ILE2AA)
Descriptor:LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION, 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE
Authors:Palencia, A., Liu, R.J., Lukarska, M., Gut, J., Bougdour, A., Touquet, B., Wang, E.D., Alley, M.R.K., Rosenthal, P.J., Hakimi, M.A., Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOM
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CRYSTAL STRUCTURE OF THE CRYPTOSPORIDIUM MURIS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN COMPLEX WITH THE ADDUCT AMP-AN6426
Descriptor:LEUCYL-TRNA SYNTHETASE, 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, PHOSPHATE ION
Authors:Palencia, A., Liu, R.J., Lukarska, M., Gut, J., Bougdour, A., Touquet, B., Wang, E.D., Alley, M.R.K., Rosenthal, P.J., Hakimi, M.A., Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FON
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CRYSTAL STRUCTURE OF THE CRYPTOSPORIDIUM MURIS CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN (APO STRUCTURE)
Descriptor:LEUCYL-TRNA SYNTHETASE
Authors:Palencia, A., Liu, R.J., Lukarska, M., Gut, J., Bougdour, A., Touquet, B., Wang, E.D., Alley, M.R.K., Rosenthal, P.J., Hakimi, M.A., Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
3O0J
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PDE4B IN COMPLEX WITH LIGAND AN2898
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MAGNESIUM ION, ...
Authors:Alley, M.R.K., Zhou, Y.
Deposit date:2010-07-19
Release date:2011-08-10
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center.
Febs Lett., 586, 2012
5W07
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
Authors:Abendroth, J., Edwards, T.E., Lorimer, D.
Deposit date:2017-05-30
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a cofactor-independent inhibitor of Mycobacterium tuberculosis InhA
To Be Published
5FO4
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CRYSTAL STRUCTURE OF THE P.FALCIPARUM CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN (SPACE GROUP P1)
Descriptor:LEUCYL TRNA SYNTHASE
Authors:Palencia, A., Sonoiki, E., Guo, D., Ahyong, V., Dong, C., Li, X., Hernandez, V.S., Gut, J., Legac, J., Cooper, R., Alley, M.R.K., Freund, Y.R., DeRisi, J., Cusack, S., Rosenthal, P.J.
Deposit date:2015-11-18
Release date:2016-06-22
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOC
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CRYSTAL STRUCTURE OF THE P.FALCIPARUM CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN (SPACE GROUP P21)
Descriptor:LEUCYL-TRNA SYNTHETASE
Authors:Palencia, A., Sonoiki, E., Guo, D., Ahyong, V., Dong, C., Li, X., Hernandez, V.S., Gut, J., Legac, J., Cooper, R., Alley, M.R.K., Freund, Y.R., DeRisi, J., Cusack, S., Rosenthal, P.J.
Deposit date:2015-11-19
Release date:2016-06-22
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOD
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CRYSTAL STRUCTURE OF THE P.FALCIPARUM CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN (SPACE GROUP P1) CONTAINING DELETIONS OF INSERTIONS 1 AND 3
Descriptor:LEUCYL-TRNA SYNTHETASE, 1,2-ETHANEDIOL
Authors:Palencia, A., Sonoiki, E., Guo, D., Ahyong, V., Dong, C., Li, X., Hernandez, V.S., Gut, J., Legac, J., Cooper, R., Alley, M.R.K., Freund, Y.R., DeRisi, J., Cusack, S., Rosenthal, P.J.
Deposit date:2015-11-19
Release date:2016-06-22
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOF
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CRYSTAL STRUCTURE OF THE P.KNOWLESI CYTOSOLIC LEUCYL-TRNA SYNTHETASE EDITING DOMAIN
Descriptor:LEUCYL-TRNA SYNTHETASE
Authors:Palencia, A., Sonoiki, E., Guo, D., Ahyong, V., Dong, C., Li, X., Hernandez, V.S., Gut, J., Legac, J., Cooper, R., Alley, M.R.K., Freund, Y.R., DeRisi, J., Cusack, S., Rosenthal, P.J.
Deposit date:2015-11-19
Release date:2016-06-22
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5NNO
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STRUCTURE OF TBALDH3 COMPLEXED WITH NAD AND AN3057 ALDEHYDE
Descriptor:Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde
Authors:Zoltner, M., Zhang, N., Horn, D., Field, M.C.
Deposit date:2017-04-10
Release date:2017-04-19
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
PLoS Pathog., 14, 2018