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7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
分子名称: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Swale, C, Bellini, V, Bowler, M.
登録日2021-10-29
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
7VC1
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BU of 7vc1 by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and L-proline in space group P21
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Yogavel, M, Malhotra, N, Sharma, A.
登録日2021-09-01
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7VC3
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BU of 7vc3 by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and L-proline at 1.97 A resolution
分子名称: 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, CHLORIDE ION, ETHANOLAMINE, ...
著者Malhotra, N, Yogavel, M, Sharma, A.
登録日2021-09-01
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7VC2
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BU of 7vc2 by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and L-proline in space group P21
分子名称: 1,2-ETHANEDIOL, 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, CHLORIDE ION, ...
著者Yogavel, M, Malhotra, N, Sharma, A.
登録日2021-09-01
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7EVU
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BU of 7evu by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with HFG and JE6
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Prolyl-tRNA synthetase (ProRS), ...
著者Mishra, S, Malhotra, N, Manickam, Y, Sharma, A.
登録日2021-05-22
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Double drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development.
Plos Pathog., 18, 2022
7EVV
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BU of 7evv by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with JE6 and L-pro
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PROLINE, ...
著者Malhotra, N, Mishra, S, Manickam, Y, Sharma, A.
登録日2021-05-22
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Double drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development.
Plos Pathog., 18, 2022
7FAL
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BU of 7fal by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T36 and L-pro
分子名称: 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS)
著者Malhotra, N, Mishra, S, Yogavel, M, Sharma, A.
登録日2021-07-06
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.219 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7F9A
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BU of 7f9a by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97
分子名称: 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ...
著者Manickam, Y, Malhotra, N, Sharma, A.
登録日2021-07-04
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7F98
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BU of 7f98 by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95
分子名称: Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ...
著者Malhotra, N, Manickam, Y, Sharma, A.
登録日2021-07-04
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7FAK
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BU of 7fak by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L96 and L-pro
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, ACETATE ION, ...
著者Malhotra, N, Mishra, S, Yogavel, M, Sharma, A.
登録日2021-07-06
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7F9D
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BU of 7f9d by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96
分子名称: 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ...
著者Manickam, Y, Malhotra, N, Sharma, A.
登録日2021-07-04
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7F9B
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BU of 7f9b by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95
分子名称: Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ...
著者Manickam, Y, Malhotra, N, Sharma, A.
登録日2021-07-04
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7F9C
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BU of 7f9c by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96
分子名称: 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ...
著者Malhotra, N, Manickam, Y, Sharma, A.
登録日2021-07-04
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7F99
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BU of 7f99 by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96
分子名称: 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ...
著者Manickam, Y, Malhotra, N, Sharma, A.
登録日2021-07-04
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7FAN
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BU of 7fan by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T35 and L-pro
分子名称: 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS)
著者Mishra, S, Malhotra, N, Yogavel, M, Sharma, A.
登録日2021-07-06
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
7FAM
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BU of 7fam by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro
分子名称: 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS)
著者Mishra, S, Malhotra, N, Yogavel, M, Sharma, A.
登録日2021-07-06
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023

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件を2024-09-04に公開中

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