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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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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7DI7
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![BU of 7di7 by Molmil](/molmil-images/mine/7di7) | 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
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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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5YVW
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![BU of 5yvw by Molmil](/molmil-images/mine/5yvw) | |
5YVU
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![BU of 5yvu by Molmil](/molmil-images/mine/5yvu) | |
5JJR
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![BU of 5jjr by Molmil](/molmil-images/mine/5jjr) | Dengue 3 NS5 protein with compound 29 | Descriptor: | 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lescar, J, El Sahili, A. | Deposit date: | 2016-04-25 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
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5JJS
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![BU of 5jjs by Molmil](/molmil-images/mine/5jjs) | Dengue 3 NS5 protein with compound 27 | Descriptor: | 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lescar, J, El Sahili, A. | Deposit date: | 2016-04-25 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
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6I7W
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![BU of 6i7w by Molmil](/molmil-images/mine/6i7w) | Structure of the periplasmic binding protein (PBP) AccA in complex with 2-glucose-2-O-lactic acid phosphate (G2LP) from Agrobacterium fabrum C58 | Descriptor: | 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose, ABC transporter, ... | Authors: | Morera, S, Vigouroux, A, El Sahili, A. | Deposit date: | 2018-11-19 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis of a non-natural glucose-2-phosphate ester able to dupe the acc system of Agrobacterium fabrum. Org. Biomol. Chem., 17, 2019
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6ITO
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![BU of 6ito by Molmil](/molmil-images/mine/6ito) | Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C. | Deposit date: | 2018-11-24 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis. J.Mol.Biol., 431, 2019
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8CAW
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![BU of 8caw by Molmil](/molmil-images/mine/8caw) | PBP AccA from A. tumefaciens Bo542 in complex with agrocin84 | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid, ... | Authors: | Morera, S, Vigouroux, A, El Sahili, A. | Deposit date: | 2023-01-24 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.256 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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5ITP
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6AFK
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![BU of 6afk by Molmil](/molmil-images/mine/6afk) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | Deposit date: | 2018-08-08 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors. Acs Infect Dis., 5, 2019
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6U5O
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![BU of 6u5o by Molmil](/molmil-images/mine/6u5o) | Structure of the Human Metapneumovirus Polymerase bound to the phosphoprotein tetramer | Descriptor: | Phosphoprotein, RNA-directed RNA polymerase L | Authors: | Pan, J, Qian, X, Lattmann, S, Sahili, A.E, Yeo, T.H, Kalocsay, M, Fearns, R, Lescar, J. | Deposit date: | 2019-08-28 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the human metapneumovirus polymerase phosphoprotein complex. Nature, 577, 2020
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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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5ORG
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![BU of 5org by Molmil](/molmil-images/mine/5org) | |
5OT8
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![BU of 5ot8 by Molmil](/molmil-images/mine/5ot8) | |
5OVZ
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![BU of 5ovz by Molmil](/molmil-images/mine/5ovz) | High resolution structure of the PBP NocT in complex with nopaline | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | Authors: | Vigouroux, A, Morera, S. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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5OT9
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5OTA
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![BU of 5ota by Molmil](/molmil-images/mine/5ota) | |
5ORE
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![BU of 5ore by Molmil](/molmil-images/mine/5ore) | |
5OTC
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![BU of 5otc by Molmil](/molmil-images/mine/5otc) | |