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PDB: 21 results

7DIJ
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BU of 7dij by Molmil
Falcilysin in complex with MK-4815
Descriptor: 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
8HO4
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BU of 8ho4 by Molmil
Falcilysin in complex with MMV000848
Descriptor: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ...
Authors:Lin, J.Q, Chung, Z, Lescar, J.
Deposit date:2022-12-09
Release date:2023-12-20
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
8HO5
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BU of 8ho5 by Molmil
Falcilysin in complex with MMV665806
Descriptor: (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Lin, J.Q, Chung, Z, Lescar, J.
Deposit date:2022-12-09
Release date:2023-12-20
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
6K4F
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BU of 6k4f by Molmil
SiaC of Pseudomonas aeruginosa
Descriptor: DUF1987 domain-containing protein
Authors:Lin, J.Q, Lescar, J.
Deposit date:2019-05-23
Release date:2019-06-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.
Plos One, 15, 2020
6K4E
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BU of 6k4e by Molmil
SiaA-PP2C domain of Pseudomonas aeruginosa
Descriptor: MAGNESIUM ION, Putative serine phosphatase
Authors:Lin, J.Q, Lescar, J.
Deposit date:2019-05-23
Release date:2019-06-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.
Plos One, 15, 2020
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
Descriptor: Fab14 heavy chain, Fab14 light chain
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-24
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
8WYY
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BU of 8wyy by Molmil
Open falcilysin, from free falcilysin dataset
Descriptor: Falcilysin, ZINC ION
Authors:Lin, J.Q, Yan, X.F, Lescar, J.
Deposit date:2023-10-31
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Open falcilysin, from free falcilysin dataset
To Be Published
8WYU
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BU of 8wyu by Molmil
Open Falcilysin, from MK-4815-treated dataset
Descriptor: Falcilysin, ZINC ION
Authors:Lin, J.Q, Yan, X.F, Lescar, J.
Deposit date:2023-10-31
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Open Falcilysin, from MK-4815-treated dataset
To Be Published
8WYT
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BU of 8wyt by Molmil
Partially closed Falcilysin bound to MK-4815, from MK-4815-treated dataset
Descriptor: 2-(aminomethyl)-3,5-ditert-butyl-phenol, Falcilysin, ZINC ION
Authors:Lin, J.Q, Yan, X.F, Lescar, J.
Deposit date:2023-10-31
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Partially closed Falcilysin bound to MK-4815, from MK-4815-treated dataset
To Be Published
8WYX
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BU of 8wyx by Molmil
Partially closed falcilysin, from free falcilysin dataset
Descriptor: Falcilysin, ZINC ION
Authors:Lin, J.Q, Yan, X.F, Lescar, J.
Deposit date:2023-10-31
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Partially closed falcilysin, from free falcilysin dataset
To Be Published
8WXZ
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BU of 8wxz by Molmil
Falcilysin in complex with hemoglobin beta chain peptide
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Falcilysin, ...
Authors:Lin, J.Q, Lescar, J.
Deposit date:2023-10-30
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Falcilysin in complex with hemoglobin alpha chain peptide
To Be Published
8WXW
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BU of 8wxw by Molmil
Falcilysin in complex with hemoglobin alpha chain peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Falcilysin, ...
Authors:Lin, J.Q, Lescar, J.
Deposit date:2023-10-30
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Falcilysin in complex with hemoglobin alpha chain peptide
To Be Published
8YKU
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BU of 8yku by Molmil
PaThiL in complex with AMP-PNP and TMP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Lin, J.Q, Chung, Z, Lescar, J.
Deposit date:2024-03-05
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:ThiL in complex with AMP-PNP
To Be Published
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7DIA
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BU of 7dia by Molmil
Falcilysin in complex with mefloquine
Descriptor: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2020-11-18
Release date:2021-12-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
7DI7
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BU of 7di7 by Molmil
Falcilysin in complex with chloroquine
Descriptor: ACETATE ION, Falcilysin, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2020-11-18
Release date:2021-12-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
7VPE
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BU of 7vpe by Molmil
Falcilysin in complex with A1
Descriptor: (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole, ACETATE ION, CHLORIDE ION, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2021-10-16
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Title is not available yet as we are preparing the manuscript. Will update again once the paper is out.
To Be Published
7DU3
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BU of 7du3 by Molmil
ThiL in complex with AMP-PNP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lin, J.Q, Lescar, J.
Deposit date:2021-01-07
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:ThiL in complex with AMP-PNP
To Be Published
5XVU
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BU of 5xvu by Molmil
Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q.
Deposit date:2017-06-28
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition.
Sci Rep, 8, 2018
8W7H
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BU of 8w7h by Molmil
Purine Nucleoside Phosphorylase in complex with MMV000848
Descriptor: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
Authors:Chung, Z, Lin, J.Q, Lescar, J.
Deposit date:2023-08-30
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification and structural validation of purine nucleoside phosphorylase from Plasmodium falciparum as a target of MMV000848.
J.Biol.Chem., 300, 2023

224201

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