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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
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
Method:X-RAY DIFFRACTION (1.799 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
Method:X-RAY DIFFRACTION (1.71 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
Method:X-RAY DIFFRACTION (1.55 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
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
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
Method:X-RAY DIFFRACTION (1.731 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:2023-11-29
Method:X-RAY DIFFRACTION (1.87 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
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
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Interaction of metals with PfGrx1
To Be Published
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
7F9V
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BU of 7f9v by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Halofuginone
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ...
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 (1.816 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9R
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BU of 7f9r by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95, L-Proline and Febrifugine
Descriptor: 1,2-ETHANEDIOL, 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, CHLORIDE 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 (1.83 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9Q
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BU of 7f9q by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Febrifugine
Descriptor: 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, 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, CALCIUM ION, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9P
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BU of 7f9p by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and azetidine
Descriptor: (2S)-azetidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9S
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BU of 7f9s by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF)
Descriptor: 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, 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, BETA-MERCAPTOETHANOL, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9T
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BU of 7f9t by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Halofuginone
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ...
Authors:Malhotra, N, Manickam, Y, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:TgPRS with double inhibitors
To Be Published
3ZVQ
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BU of 3zvq by Molmil
Crystal Structure of proteolyzed lysozyme
Descriptor: LYSOZYME C
Authors:Kishan, K.V, Sharma, A.
Deposit date:2011-07-26
Release date:2011-10-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Salt-assisted religation of proteolyzed Glutathione-S-transferase follows Hofmeister series.
Protein Pept.Lett., 17, 2010
4LJM
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BU of 4ljm by Molmil
Crystal structure of C-terminal RNA recognition motif of human ETR3
Descriptor: CUGBP Elav-like family member 2
Authors:Kashyap, M, Sharma, A, Yogavel, M, Bhavesh, N.S.
Deposit date:2013-07-05
Release date:2014-07-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of C-terminal RNA recognition motif of human ETR3
To be Published
4LNS
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BU of 4lns by Molmil
Crystal structure of Asparagine synthetase A (AsnA) from Trypanosoma brucei
Descriptor: Asparagine synthetase a
Authors:Khan, S, Madhubala, R, Sharma, A.
Deposit date:2013-07-12
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and functional characterization of a novel bacterial type asparagine synthetase A: a tRNA synthetase paralog from Leishmania donovani.
J.Biol.Chem., 289, 2014
2Q2L
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BU of 2q2l by Molmil
Crystal Structure of Superoxide Dismutase from P. atrosanguina
Descriptor: IODIDE ION, Superoxide Dismutase, ZINC ION
Authors:Manickam, Y, Gill, J, Mishra, P.C, Sharma, A.
Deposit date:2007-05-29
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.367 Å)
Cite:SAD phasing of a structure based on cocrystallized iodides using an in-house Cu Kalpha X-ray source: effects of data redundancy and completeness on structure solution
Acta Crystallogr.,Sect.D, 63, 2007
4N10
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BU of 4n10 by Molmil
Crystal structure of plasmodium falciparum oxidized glutaredoxin 1 (PfGrx1) complexed with cisplatin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cisplatin, ...
Authors:Yogavel, M, Sharma, A.
Deposit date:2013-10-03
Release date:2014-10-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Interaction of Cisplatin with plasmodium falciparum Glutaredoxin 1
To be Published
4N11
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BU of 4n11 by Molmil
Crystal structure of plasmodium falciparum reduced glutaredoxin 1 (PfGrx1) complexed with cisplatin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cisplatin, ...
Authors:Yogavel, M, Sharma, A.
Deposit date:2013-10-03
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Interaction of Cisplatin with plasmodium falciparum Glutaredoxin 1
To be Published
4N0Z
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BU of 4n0z by Molmil
Crystal structure of cisplatin bound to a plasmodium falciparum glutaredoxin 1 (PfGrx1)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cisplatin, ...
Authors:Yogavel, M, Sharma, A.
Deposit date:2013-10-03
Release date:2014-10-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction of Cisplatin with plasmodium falciparum Glutaredoxin 1
To be Published
5TN9
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BU of 5tn9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Descriptor: 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor
Authors:Nwachukwu, J.C, Sharma, N, Carlson, K.E, Srinivasan, S, Sharma, A, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-02-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands.
ACS Chem. Biol., 12, 2017

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