8QUL
 
 | | Hexameric HIV-1 CA in complex with DDD00100555 | | 分子名称: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | | 著者 | Petit, A.P, Fyfe, P.K. | | 登録日 | 2023-10-16 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QUW
 | | Hexameric HIV-1 CA in complex with DDD01044153 | | 分子名称: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | | 著者 | Petit, A.P, Fyfe, P.K. | | 登録日 | 2023-10-17 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QV1
 | | Hexameric HIV-1 CA in complex with DDD01728505 | | 分子名称: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | 著者 | Petit, A.P, Fyfe, P.K. | | 登録日 | 2023-10-17 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QUK
 | | Hexameric HIV-1 CA in complex with DDD00100439 | | 分子名称: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1 | | 著者 | Petit, A.P, Fyfe, P.K. | | 登録日 | 2023-10-16 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QV4
 | | Hexameric HIV-1 CA in complex with DDD01728503 | | 分子名称: | 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | | 著者 | Petit, A.P, Fyfe, P.K. | | 登録日 | 2023-10-17 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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7M7V
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6QM8
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6QM7
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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
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5K4Z
 | | M. thermoresistible IMPDH in complex with IMP and Compound 6 | | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | | 登録日 | 2016-05-22 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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5K4X
 | | M. thermoresistible IMPDH in complex with IMP and Compound 1 | | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | | 登録日 | 2016-05-22 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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5ELN
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8OLU
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5ELO
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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
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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
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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
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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
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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 | 2024-10-23 | | 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
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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 | 2024-10-23 | | 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
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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
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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
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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
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5OIN
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5OIP
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