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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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
 | | 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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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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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: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protease in complex with inhibitor
To Be Published
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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: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Protease in complex with compound
To Be Published
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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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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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5YVW
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5YVU
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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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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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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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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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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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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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7C31
 | | Crystal structure of the grapevine defensin VvK1 | | Descriptor: | Knot1 domain-containing protein | | Authors: | Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D. | | Deposit date: | 2020-05-10 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
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8W7H
 | | 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
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5ITP
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5ITO
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4P0I
 | | Structure of the PBP NocT | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein | | Authors: | Vigouroux, A, Morera, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 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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4PP0
 | | Structure of the PBP NocT-M117N in complex with pyronopaline | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2014-02-26 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.57 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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6ID4
 | | Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A. | | Deposit date: | 2018-09-08 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01.
Nat Commun, 10, 2019
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4POW
 | | Structure of the PBP NocT in complex with pyronopaline | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2014-02-26 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 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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5ORG
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