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PDB: 230 results

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
7F9C
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BU of 7f9c by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96
Descriptor: 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, ...
Authors:Malhotra, N, Manickam, Y, Sharma, A.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.196 Å)
Cite: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
Descriptor: Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE 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 (1.995 Å)
Cite: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
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, Bifunctional glutamate/proline--tRNA ligase, 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 (1.999 Å)
Cite: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
Descriptor: Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ...
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 (1.999 Å)
Cite: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
Descriptor: 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, ...
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 (2.497 Å)
Cite: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
Descriptor: 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, ...
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 (1.979 Å)
Cite: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
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, PROLINE, Prolyl-tRNA synthetase (ProRS)
Authors:Mishra, S, Malhotra, N, Yogavel, M, Sharma, A.
Deposit date:2021-07-06
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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
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, PROLINE, Prolyl-tRNA synthetase (ProRS)
Authors:Mishra, S, Malhotra, N, Yogavel, M, Sharma, A.
Deposit date:2021-07-06
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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:2024-10-16
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
4UAS
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BU of 4uas by Molmil
Crystal structure of CbbY from Rhodobacter sphaeroides in complex with phosphate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2014-08-11
Release date:2014-12-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
4UAV
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BU of 4uav by Molmil
Crystal structure of CbbY (AT3G48420) from Arabidobsis thaliana
Descriptor: Haloacid dehalogenase-like hydrolase domain-containing protein At3g48420, MAGNESIUM ION
Authors:Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2014-08-11
Release date:2014-12-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
4UAU
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BU of 4uau by Molmil
Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form II
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ...
Authors:Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2014-08-11
Release date:2014-12-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
4UAR
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BU of 4uar by Molmil
Crystal structure of apo-CbbY from Rhodobacter sphaeroides
Descriptor: GLYCEROL, Protein CbbY
Authors:Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2014-08-11
Release date:2014-12-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
4UAT
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BU of 4uat by Molmil
Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form I
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ...
Authors:Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2014-08-11
Release date:2014-12-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
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

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PDB entries from 2024-10-30

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