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5FOL
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BU of 5fol by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA)
分子名称: 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOM
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BU of 5fom by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5ETA
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BU of 5eta by Molmil
Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24
分子名称: Mitogen-activated protein kinase 14, Putative transmembrane protein
著者Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
登録日2015-11-17
公開日2016-10-26
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
5ETF
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BU of 5etf by Molmil
Structure of dead kinase MAPK14 with bound the KIM domain of MKK6
分子名称: Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14
著者Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
登録日2015-11-17
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
5FOG
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BU of 5fog by Molmil
Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA)
分子名称: 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ...
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-20
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FON
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BU of 5fon by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure)
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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
6Q5A
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BU of 6q5a by Molmil
Crystal structure of Cryptosporidium hominis CPSF3 in the apo form
分子名称: Cleavage and Polyadenylation Specificity Factor 3, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Palencia, A, Swale, C.
登録日2018-12-07
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection.
Sci Transl Med, 11, 2019
6Q55
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BU of 6q55 by Molmil
Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61
分子名称: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid, Cleavage and Polyadenylation Specificity Factor 3 (CPSF3), GLYCEROL, ...
著者Palencia, A, Swale, C.
登録日2018-12-07
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection.
Sci Transl Med, 11, 2019
7NG2
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BU of 7ng2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain in apo form
分子名称: ISOPROPYL ALCOHOL, Zinc finger (CCCH type) motif-containing protein
著者Swale, C, Bowler, M.W.
登録日2021-02-08
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NJC
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BU of 7njc by Molmil
Crystal structure of the Toxoplasma CPSF4 YTH-domain in complex with a 7 mer m6A-modified RNA
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, N-methyladenosine, RNA (5'-R(*(6MZ)P*CP*A)-3'), ...
著者Swale, C, Bowler, M.W.
登録日2021-02-16
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
7NH2
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BU of 7nh2 by Molmil
Crystal structure of Toxoplasma CPSF4-YTH domain bound to m6A
分子名称: TETRAETHYLENE GLYCOL, Zinc finger (CCCH type) motif-containing protein, ~{N},9-dimethylpurin-6-amine
著者Swale, C, Bowler, M.W.
登録日2021-02-09
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
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
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
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
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
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
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
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
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
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
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
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
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

 

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