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4A21
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STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE BOUND TO SULFATE
分子名称:FRUCTOSE-BISPHOSPHATE ALDOLASE, SULFATE ION, SODIUM ION
著者Coincon, M., De la Paz Santangelo, M., Gest, P.M., Guerin, M.E., Pham, H., Ryan, G., Puckett, S.E., Spencer, J.S., Gonzalez-Juarrero, M., Daher, R., Lenaerts, A.J., Schnappinger, D., Therisod, M., Ehrt, S., Jackson, M., Sygusch, J.
登録日2011-09-21
公開日2011-10-05
最終更新日2011-11-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glycolytic and Non-Glycolytic Functions of the Fructose-1,6-Bisphosphate Aldolase of Mycobacterium Tuberculosis, an Essential Enzyme Produced by Replicating and Non-Replicating Bacilli
J.Biol.Chem., 286, 2011
4A22
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STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE BOUND TO N-(4-HYDROXYBUTYL)- GLYCOLOHYDROXAMIC ACID BIS- PHOSPHATE
分子名称:FRUCTOSE-BISPHOSPHATE ALDOLASE, 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, SODIUM ION, ...
著者Coincon, M., De la Paz Santangelo, M., Gest, P.M., Guerin, M.E., Pham, H., Ryan, G., Puckett, S.E., Spencer, J.S., Gonzalez-Juarrero, M., Daher, R., Lenaerts, A.J., Schnappinger, D., Therisod, M., Ehrt, S., Jackson, M., Sygusch, J.
登録日2011-09-21
公開日2011-10-12
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli.
J. Biol. Chem., 286, 2011
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
2MRK
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FYN SH2 DOMAIN IN COMPLEX WITH THE NATURAL INHIBITORY PHOSPHOTYROSINE PEPTIDE
分子名称:Tyrosine-protein kinase Fyn, C-terminal Tyrosine-protein kinase Fyn
著者Huculeci, R., Buts, L., Lenaerts, A.J., van Nuland, N.
登録日2014-07-09
公開日2015-07-15
最終更新日2016-12-14
実験手法SOLUTION NMR
主引用文献Dynamically Coupled Residues within the SH2 Domain of FYN Are Key to Unlocking Its Activity.
Structure, 24, 2016
5V3W
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CRYSTAL STRUCTURE OF THE APO FORM OF THIOESTERASE DOMAIN OF MTB PKS13
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3X
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CRYSTAL STRUCTURE OF MTB PKS13 THIOESTERASE DOMAIN IN COMPLEX WITH INHIBITOR TAM1
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3Y
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CRYSTAL STRUCTURE OF MTB PKS13 THIOESTERASE DOMAIN IN COMPLEX WITH INHIBITOR TAM16
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide, SULFATE ION
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3Z
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CRYSTAL STRUCTURE OF THE D1607N MUTANT FORM OF THIOESTERASE DOMAIN OF MTB PKS13
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), PENTAETHYLENE GLYCOL, SULFATE ION
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V40
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CRYSTAL STRUCTURE OF MTB PKS13 THIOESTERASE DOMAIN IN COMPLEX WITH INHIBITOR TAM6
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V41
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CRYSTAL STRUCTURE OF MTB PKS13 THIOESTERASE DOMAIN IN COMPLEX WITH INHIBITOR TAM5
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V42
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CRYSTAL STRUCTURE OF MTB PKS13 THIOESTERASE DOMAIN IN COMPLEX WITH INHIBITOR TAM3
分子名称:Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
著者Aggarwal, A., Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5VRL
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
著者Abendroth, J., Edwards, T.E., Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
5VRM
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Abendroth, J., Edwards, T.E., Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
5VRN
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CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Abendroth, J., Edwards, T.E., Lorimer, D.
登録日2017-05-11
公開日2018-05-16
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018