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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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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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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5YVJ
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![BU of 5yvj by Molmil](/molmil-images/mine/5yvj) | |
5YW1
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![BU of 5yw1 by Molmil](/molmil-images/mine/5yw1) | |
5YVY
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![BU of 5yvy by Molmil](/molmil-images/mine/5yvy) | |
5WS8
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![BU of 5ws8 by Molmil](/molmil-images/mine/5ws8) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate | Descriptor: | MAGNESIUM ION, OXALATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WRP
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![BU of 5wrp by Molmil](/molmil-images/mine/5wrp) | T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis | Descriptor: | PHOSPHATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-02 | Release date: | 2017-11-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WSB
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![BU of 5wsb by Molmil](/molmil-images/mine/5wsb) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WSC
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![BU of 5wsc by Molmil](/molmil-images/mine/5wsc) | Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WSA
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![BU of 5wsa by Molmil](/molmil-images/mine/5wsa) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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5WS9
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![BU of 5ws9 by Molmil](/molmil-images/mine/5ws9) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
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7VPE
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![BU of 7vpe by Molmil](/molmil-images/mine/7vpe) | 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
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