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7X09
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BU of 7x09 by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with inhibitors L95 and Halofuginone
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Manickam, Y, Babbar, P, Pillai, P, Sharma, A.
Deposit date:2022-02-21
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
7X1O
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BU of 7x1o by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with double inhibitors HF and L95
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Manickam, Y, Babbar, P, Sharma, A.
Deposit date:2022-02-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
7V8K
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BU of 7v8k by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with L-Proline
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with L-Proline
To Be Published
7V8J
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BU of 7v8j by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with the reaction intermediates proline-adenylate (Pro-AMP) and pyrophosphate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, PROLINE, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.519 Å)
Cite:Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with the reaction intermediates proline-adenylate (Pro-AMP) and pyrophosphate
To Be Published
7V9D
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BU of 7v9d by Molmil
Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with inhibitor L95 and azetidine
Descriptor: (2S)-azetidine-2-carboxylic acid, 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-08-24
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with inhibitor L95 and azetidine
To Be Published
5ZKH
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BU of 5zkh by Molmil
Crystal Structure of N-terminal Domain of Plasmodium falciparum p43
Descriptor: Aminoacyl tRNA synthetase complex-interacting multifunctional protein P43
Authors:Manickam, Y, Sharma, A, Khan, S.
Deposit date:2018-03-23
Release date:2019-04-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Structural analysis of aminoacyl-tRNA synthetase-interacting multifunctional proteins from plasmodium species
To Be Published
7DIV
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BU of 7div by Molmil
Structure of PfGrx1 in the intermediate state with cadmium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CADMIUM ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIW
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BU of 7diw by Molmil
Structure of PfGrx1 in the intermediate state with mercury
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIZ
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BU of 7diz by Molmil
Structure of PfGrx1 in the reduced state using DTT
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIR
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BU of 7dir by Molmil
Structure of PfGrx1 with mercury
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIT
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BU of 7dit by Molmil
Structure of PfGrx1 in the intermediate state with cadmium and cesium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CADMIUM ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIN
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BU of 7din by Molmil
Structure of PfGrx1 with cobalt
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COBALT (II) ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIP
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BU of 7dip by Molmil
Structure of PfGrx1 with manganese
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIS
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BU of 7dis by Molmil
Structure of the PfGrx1 with platinum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DJ0
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BU of 7dj0 by Molmil
Structure of PfGrx1 in the reduced state using BME
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIK
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BU of 7dik by Molmil
Structure of PfGrx1 with barium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, BARIUM ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIQ
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BU of 7diq by Molmil
Structure of PfGrx1 with zinc
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIU
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BU of 7diu by Molmil
Structure of PfGrx1 in the intermediate state with platinum and cesium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CESIUM ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIL
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BU of 7dil by Molmil
Structure of PfGrx1 with cesium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CESIUM ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIO
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BU of 7dio by Molmil
Structure of PfGrx1 with iron
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE (III) ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7DIM
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BU of 7dim by Molmil
Structure of PfGrx1 with cadmium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CADMIUM ION, ...
Authors:Manickam, Y, Sharma, A.
Deposit date:2020-11-19
Release date:2021-11-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
7VC5
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BU of 7vc5 by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF) at 1.61 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-09-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:TgPRS with double inhibitors
To Be Published
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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PROLINE, ...
Authors:Malhotra, N, Mishra, S, Manickam, Y, Sharma, A.
Deposit date:2021-05-22
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Double drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development.
Plos Pathog., 18, 2022
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
Descriptor: 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), ...
Authors:Mishra, S, Malhotra, N, Manickam, Y, Sharma, A.
Deposit date:2021-05-22
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Double drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development.
Plos Pathog., 18, 2022
7F9U
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BU of 7f9u by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Halofuginone
Descriptor: 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, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:TgPRS with double inhibitors
To Be Published

 

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