Author results

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
2UZH
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MYCOBACTERIUM SMEGMATIS 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE (ISPF)
分子名称:2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, ZINC ION, CYTIDINE-5'-DIPHOSPHATE, ...
著者Buetow, L., Brown, A.C., Parish, T., Hunter, W.N.
登録日2007-04-27
公開日2007-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery.
Bmc Struct.Biol., 7, 2007
2D1F
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STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THREONINE SYNTHASE
分子名称:Threonine synthase, PYRIDOXAL-5'-PHOSPHATE
著者Covarrubias, A.S., Bergfors, T., Mannerstedt, K., Oscarson, S., Jones, T.A., Mowbray, S.L., Hogbom, M.
登録日2005-08-20
公開日2006-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, biochemical, and in vivo investigations of the threonine synthase from Mycobacterium tuberculosis.
J.Mol.Biol., 381, 2008
6C67
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO IODOTUBERCIDIN
分子名称:Adenosine kinase, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, SODIUM ION, ...
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-17
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9N
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO SANGIVAMYCIN
分子名称:Adenosine kinase, SANGIVAMYCIN, GLYCEROL, ...
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9P
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO 6-METHYLMERCAPTOPURINE RIBOSIDE
分子名称:Adenosine kinase, SULFATE ION, SODIUM ION, ...
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9Q
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO 5'-AMINOADENOSINE
分子名称:Adenosine kinase, 5'-amino-5'-deoxyadenosine
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9R
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO (2R,3S,4R,5R)-2-(HYDROXYMETHYL)-5-(6-(THIOPHEN-3-YL)-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL
分子名称:Adenosine kinase, 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, SODIUM ION, ...
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9S
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO (2R,3R,4S,5R)-2-(6-([1,1'-BIPHENYL]-4-YLETHYNYL)-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
分子名称:Adenosine kinase, 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, SULFATE ION, ...
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9V
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MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO (2R,3S,4R,5R)-2-(HYDROXYMETHYL)-5-(6-(4-PHENYLPIPERAZIN-1-YL)-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL
分子名称:Adenosine kinase, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol, SULFATE ION, ...
著者Crespo, R.A., TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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
3CXV
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CRYSTAL STRUCTURE OF THE CYTOCHROME P450 CYP121 A233G MUTANT FROM MYCOBACTERIUM TUBERCULOSIS
分子名称:Cytochrome P450 121, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv.
J.Biol.Chem., 283, 2008
3CXX
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CRYSTAL STRUCTURE OF CYTOCHROME P450 CYP121 F338H FROM M. TUBERCULOSIS
分子名称:Cytochrome P450 121, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of the active site structure of CY121
TO BE PUBLISHED
3CXY
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CRYSTAL STRUCTURE OF THE CYTOCHROME P450 CYP121 P346L MUTANT FROM M. TUBERCULOSIS
分子名称:Cytochrome P450 121, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of active site structure in CYP121
TO BE PUBLISHED
3CXZ
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CRYSTAL STRUCTURE OF CYTOCHROME P450 CYP121 R386L MUTANT FROM M. TUBERCULOSIS
分子名称:Cytochrome P450 121, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Characterization of active site structure of cytochrome P450 CYP121
TO BE PUBLISHED
3CY0
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CRYSTAL STRUCTURE OF CYTOCHROME P450 CYP121 S237A MUTANT FROM MYCOBACTERIUM TUBERCULOSIS
分子名称:Cytochrome P450 121, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterisation of active site structure of cytochrome CYP121
TO BE PUBLISHED
3CY1
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CRYSTAL STRUCTURE OF THE CYTOCHROME P450 CYP121 S279A MUTANT FROM M. TUBERCULOSIS
分子名称:Cytochrome P450 121, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterisation of active site of cytochrome P450 CYP121
TO BE PUBLISHED