2Y8C
 
 | | Plasmodium falciparum dUTPase in complex with a trityl ligand | | 分子名称: | (2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | | 著者 | Baragana, B, McCarthy, O, Sanchez, P, Bosch, C, Kaiser, M, Brun, R, Whittingham, J.L, Roberts, S, Zhou, X.-X, Wilson, K.S, Johansson, N.G, Gonzalez-Pacanowska, D, Gilbert, I.H. | | 登録日 | 2011-02-04 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Beta-Branched Acyclic Nucleoside Analogues as Inhibitors of Plasmodium Falciparum Dutpase
Bioorg.Med.Chem., 19, 2011
|
|
6AGT
 | | Crystal structure of PfKRS complexed with chromone inhibitor | | 分子名称: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | | 著者 | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | | 登録日 | 2018-08-14 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6HCU
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | | 著者 | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | 登録日 | 2018-08-16 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HCW
 | | Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ... | | 著者 | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | 登録日 | 2018-08-16 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HCV
 | | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | | 分子名称: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | | 著者 | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | | 登録日 | 2018-08-16 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8Q0U
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | Polyketide synthase Pks13, SULFATE ION, ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-29 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
|
|
8Q0T
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13 | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-29 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
|
|
8Q17
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ... | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-30 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
|
|
7K98
 | | Preaminoacylation complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine (F-AMS) | | 分子名称: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, CHLORIDE ION, GLYCEROL, ... | | 著者 | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-09-28 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
|
|
7K9M
 | | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine | | 分子名称: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | 著者 | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-09-29 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
|
|
3T70
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
|
|
3T64
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-28 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
|
|
3T6Y
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
|
|
3T60
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-28 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.396 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
|
|
5ELN
 | |
5ELO
 | |
4WI1
 | |
5IFU
 | | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, CHLORIDE ION, ... | | 著者 | Dranow, D.M, Hewitt, S.N, Abendroth, J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-02-26 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
ACS Infect Dis, 3, 2017
|
|
7ZOG
 | |
6CHD
 | |
4NCX
 | |
4Q15
 | |
7QI8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | | 分子名称: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | 登録日 | 2021-12-14 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
|
|
7QHN
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor | | 分子名称: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1 | | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | 登録日 | 2021-12-13 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
|
|
7QH8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | | 分子名称: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
|
|
