5MYW
 
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution | | 分子名称: | HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine | | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | 登録日 | 2017-01-30 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
|
|
8QID
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment | | 分子名称: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8QJ8
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | | 分子名称: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.538 Å) | | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8QIY
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | | 分子名称: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.5149 Å) | | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8QIX
 | | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | | 分子名称: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
5MYT
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A resolution | | 分子名称: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR | | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | 登録日 | 2017-01-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
|
|
5MXV
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution | | 分子名称: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide, HTH-type transcriptional regulator EthR | | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | 登録日 | 2017-01-24 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.626 Å) | | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
|
|
5MYM
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A resolution | | 分子名称: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone | | 著者 | Mendes, V, Blaszczyk, M, Mugumbate, G, Blundell, T.L. | | 登録日 | 2017-01-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
|
|
6HSR
 | |
5MYS
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK920684A at 1.59A resolution | | 分子名称: | 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR | | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | | 登録日 | 2017-01-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
|
|
6HSB
 | |
6HSU
 | |
7YXF
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | 分子名称: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | | 登録日 | 2022-02-16 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
|
|
7N8N
 | | Melbournevirus nucleosome like particle | | 分子名称: | DNA (147-MER), Histone H2B-H2A doublet, Histone H4-H3 doublet | | 著者 | Liu, Y, Toner, C.M, Zhou, K, Bowerman, S, Luger, K. | | 登録日 | 2021-06-15 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | | 主引用文献 | Virus-encoded histone doublets are essential and form nucleosome-like structures.
Cell, 184, 2021
|
|
7N3O
 | | Cryo-EM structure of the Cas12k-sgRNA complex | | 分子名称: | Cas12k, Single guide RNA | | 著者 | Chang, L, Li, Z, Xiao, R, Wang, S, Han, R. | | 登録日 | 2021-06-01 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
|
|
7N3P
 | | Cryo-EM structure of the Cas12k-sgRNA-dsDNA complex | | 分子名称: | Cas12k, DNA (5'-D(*CP*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*AP*AP*CP*CP*GP*AP*GP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*CP*TP*CP*GP*GP*TP*T)-3'), ... | | 著者 | Chang, L, Li, Z, Xiao, R, Wang, S, Han, R. | | 登録日 | 2021-06-01 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
|
|
7QZX
 | | Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | | 分子名称: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-02-01 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
|
|
7R1X
 | | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | 分子名称: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-02-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
|
|
4G2G
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol | | 分子名称: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | | 著者 | Hudson, S.A. | | 登録日 | 2012-07-12 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
5HDI
 | | Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 | | 分子名称: | Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D. | | 登録日 | 2016-01-05 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis.
Sci Rep, 6, 2016
|
|
4G1X
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine | | 分子名称: | 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | | 著者 | Hudson, S.A. | | 登録日 | 2012-07-11 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
5JA4
 | |
6GZV
 | | Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses | | 分子名称: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | | 著者 | Geraets, J.A, Flatt, J.W, Domanska, A, Butcher, S.J. | | 登録日 | 2018-07-05 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses.
Plos Biol., 17, 2019
|
|
1V1J
 | | Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ANHYDRO-3-FLUORO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | | 著者 | Roszak, A.W, Coggins, J.R, Lapthorn, A.J. | | 登録日 | 2004-04-16 | | 公開日 | 2005-01-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | (1R,4S,5R)-3-Fluoro-1,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid: The Fluoro Analogue of the Enolate Intermediate in the Reaction Catalyzed by Type II Dehydroquinases
Org.Biomol.Chem., 2, 2004
|
|
6MJY
 | |
