6LKO
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6LD1
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![BU of 6ld1 by Molmil](/molmil-images/mine/6ld1) | Zika NS5 polymerase domain | Descriptor: | 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION | Authors: | El Sahili, A, Lescar, J. | Deposit date: | 2019-11-20 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase. J.Virol., 94, 2020
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6L4Y
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6LD5
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![BU of 6ld5 by Molmil](/molmil-images/mine/6ld5) | Zika NS5 polymerase domain | Descriptor: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ... | Authors: | El Sahili, A, Lescar, J. | Deposit date: | 2019-11-20 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase. J.Virol., 94, 2020
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6L4X
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6LD4
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![BU of 6ld4 by Molmil](/molmil-images/mine/6ld4) | Zika NS5 polymerase domain | Descriptor: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, 3-methoxybenzenesulfonamide, RNA-directed RNA polymerase NS5, ... | Authors: | El Sahili, A, Lescar, J. | Deposit date: | 2019-11-20 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase. J.Virol., 94, 2020
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6LD3
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![BU of 6ld3 by Molmil](/molmil-images/mine/6ld3) | Zika NS5 polymerase domain | Descriptor: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ... | Authors: | El Sahili, A, Lescar, J. | Deposit date: | 2019-11-20 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase. J.Virol., 94, 2020
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4ZE9
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![BU of 4ze9 by Molmil](/molmil-images/mine/4ze9) | Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A | Descriptor: | 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter substrate-binding protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | El Sahili, A, Guimaraes, B.G, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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4ZED
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4ZE8
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![BU of 4ze8 by Molmil](/molmil-images/mine/4ze8) | PBP AccA from A. tumefaciens C58 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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4ZEI
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4ZEC
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![BU of 4zec by Molmil](/molmil-images/mine/4zec) | PBP AccA from A. tumefaciens C58 in complex with agrocin 84 | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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5FSW
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![BU of 5fsw by Molmil](/molmil-images/mine/5fsw) | RNA dependent RNA polymerase QDE-1 from Thielavia terrestris | Descriptor: | RNA DEPENDENT RNA POLYMERASE QDE-1 | Authors: | Qian, X, Hamid, F.M, El Sahili, A, Darwis, D.A, Wong, Y.H, Bhushan, S, Makeyev, E.V, Lescar, J. | Deposit date: | 2016-01-08 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Functional Evolution in Orthologous Cell-Encoded RNA-Dependent RNA Polymerases J.Biol.Chem., 291, 2016
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7WPH
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![BU of 7wph by Molmil](/molmil-images/mine/7wph) | 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
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7WPV
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![BU of 7wpv by Molmil](/molmil-images/mine/7wpv) | 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
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4ZEB
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![BU of 4zeb by Molmil](/molmil-images/mine/4zeb) | PBP AccA from A. tumefaciens C58 in complex with agrocinopine A | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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4ZEK
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4ZA6
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4RA1
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![BU of 4ra1 by Molmil](/molmil-images/mine/4ra1) | PBP AccA from A. tumefaciens C58 in complex with D-Glucose-2-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ... | Authors: | El Sahili, A, Morera, S. | Deposit date: | 2014-09-09 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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7F5P
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![BU of 7f5p by Molmil](/molmil-images/mine/7f5p) | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7F5J
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![BU of 7f5j by Molmil](/molmil-images/mine/7f5j) | The crystal structure of VyPAL2-I244V, a more efficient mutant of VyPAL2 peptide asparaginyl ligase in its active enzyme form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7F5Q
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![BU of 7f5q by Molmil](/molmil-images/mine/7f5q) | The crystal structure of VyPAL2 peptide asparaginyl ligase in its active enzyme form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7FA0
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![BU of 7fa0 by Molmil](/molmil-images/mine/7fa0) | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-07-05 | Release date: | 2022-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7DIJ
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![BU of 7dij by Molmil](/molmil-images/mine/7dij) | 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
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7DIA
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![BU of 7dia by Molmil](/molmil-images/mine/7dia) | 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
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