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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
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
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
Method:X-RAY DIFFRACTION (1.64 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
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
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
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
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
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
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
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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Yogavel, M, Malhotra, N, Sharma, A.
Deposit date:2021-09-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.892 Å)
Cite: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
Descriptor: 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, ...
Authors:Yogavel, M, Malhotra, N, Sharma, A.
Deposit date:2021-09-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.096 Å)
Cite: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
Descriptor: 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, ...
Authors:Malhotra, N, Yogavel, M, Sharma, A.
Deposit date:2021-09-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
2WQH
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BU of 2wqh by Molmil
Crystal structure of CTPR3Y3
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Krachler, A.M, Sharma, A, Kleanthous, C.
Deposit date:2009-08-21
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Self-association of TPR domains: Lessons learned from a designed, consensus-based TPR oligomer.
Proteins, 78, 2010
2WPT
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BU of 2wpt by Molmil
The crystal structure of Im2 in complex with colicin E9 DNase
Descriptor: COLICIN-E2 IMMUNITY PROTEIN, COLICIN-E9, GLYCEROL, ...
Authors:Meenan, N.A, Sharma, A, Fleishman, S.J, Macdonald, C.J, Boetzel, R, Moore, G.R, Baker, D, Kleanthous, C.
Deposit date:2009-08-10
Release date:2010-06-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Structural and Energetic Basis for High Selectivity in a High-Affinity Protein-Protein Interaction.
Proc.Natl.Acad.Sci.USA, 107, 2010
5NCK
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BU of 5nck by Molmil
The Crystal Structure of N-acetylmannosamine kinase in Fusobacterium nucleatum
Descriptor: N-acetylmannosamine kinase
Authors:Caing-Carlsson, R, Sharma, A, Friemann, R, Ramaswamy, S.
Deposit date:2017-03-06
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of N-acetylmannosamine kinase from Fusobacterium nucleatum.
Acta Crystallogr F Struct Biol Commun, 73, 2017
3AFQ
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BU of 3afq by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form II)
Descriptor: Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
Deposit date:2010-03-10
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
3AFP
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BU of 3afp by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form I)
Descriptor: CADMIUM ION, GLYCEROL, Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
Deposit date:2010-03-10
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
3NSG
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BU of 3nsg by Molmil
Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi
Descriptor: CITRATE ANION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Balasubramaniam, D, Arockiasamy, A, Sharma, A, Krishnaswamy, S.
Deposit date:2010-07-01
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Asymmetric pore occupancy in crystal structure of OmpF porin from Salmonella typhi
J.Struct.Biol., 178, 2012
4HJM
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BU of 4hjm by Molmil
Crystal structure of Glutaredoxin 1 from Plasmodium falciparum (PfGrx1) solved by S-SAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
Authors:Manickam, Y, Sharma, A.
Deposit date:2012-10-13
Release date:2013-12-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.5462 Å)
Cite:Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
3P5W
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BU of 3p5w by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
3P5X
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BU of 3p5x by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
3P5U
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BU of 3p5u by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010
3P5V
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BU of 3p5v by Molmil
Actinidin from Actinidia arguta planch (Sarusashi)
Descriptor: Actinidin, CADMIUM ION
Authors:Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A.
Deposit date:2010-10-11
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources
Acta Crystallogr.,Sect.D, 66, 2010

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