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7WPV
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Fab14 - a SARS-CoV2 RBD neutralising antibody
分子名称: Fab14 heavy chain, Fab14 light chain
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-24
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
5YVW
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Crystal structure of full length NS3 protein (eD4NS2BNS3) from DENV4 in closed conformation
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Genome polyprotein
著者PHOO, W.W, El Sahili, A.
登録日2017-11-27
公開日2018-12-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVU
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Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
分子名称: GLYCEROL, Genome polyprotein, Pancreatic trypsin inhibitor
著者Phoo, W.W, El Sahili, A.
登録日2017-11-27
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
7DIJ
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BU of 7dij by Molmil
Falcilysin in complex with MK-4815
分子名称: 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2020-11-19
公開日2021-12-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: ACETATE ION, Falcilysin, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2020-11-18
公開日2021-12-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
7DIA
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BU of 7dia by Molmil
Falcilysin in complex with mefloquine
分子名称: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2020-11-18
公開日2021-12-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
6I7W
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Structure of the periplasmic binding protein (PBP) AccA in complex with 2-glucose-2-O-lactic acid phosphate (G2LP) from Agrobacterium fabrum C58
分子名称: 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, ...
著者Morera, S, Vigouroux, A, El Sahili, A.
登録日2018-11-19
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis of a non-natural glucose-2-phosphate ester able to dupe the acc system of Agrobacterium fabrum.
Org. Biomol. Chem., 17, 2019
5FSW
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BU of 5fsw by Molmil
RNA dependent RNA polymerase QDE-1 from Thielavia terrestris
分子名称: RNA DEPENDENT RNA POLYMERASE QDE-1
著者Qian, X, Hamid, F.M, El Sahili, A, Darwis, D.A, Wong, Y.H, Bhushan, S, Makeyev, E.V, Lescar, J.
登録日2016-01-08
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Functional Evolution in Orthologous Cell-Encoded RNA-Dependent RNA Polymerases
J.Biol.Chem., 291, 2016
6ITO
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BU of 6ito by Molmil
Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ...
著者Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C.
登録日2018-11-24
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis.
J.Mol.Biol., 431, 2019
8CAW
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BU of 8caw by Molmil
PBP AccA from A. tumefaciens Bo542 in complex with agrocin84
分子名称: 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, ...
著者Morera, S, Vigouroux, A, El Sahili, A.
登録日2023-01-24
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.256 Å)
主引用文献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
8HO4
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BU of 8ho4 by Molmil
Falcilysin in complex with MMV000848
分子名称: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ...
著者Lin, J.Q, Chung, Z, Lescar, J.
登録日2022-12-09
公開日2023-12-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
8W7H
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BU of 8w7h by Molmil
Purine Nucleoside Phosphorylase in complex with MMV000848
分子名称: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Chung, Z, Lin, J.Q, Lescar, J.
登録日2023-08-30
公開日2024-01-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification and structural validation of purine nucleoside phosphorylase from Plasmodium falciparum as a target of MMV000848.
J.Biol.Chem., 300, 2023
6AFK
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BU of 6afk by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
分子名称: 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
著者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.
登録日2018-08-08
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
5OT8
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BU of 5ot8 by Molmil
Structure of the periplasmic binding protein (PBP) NocT-G97S mutant from A. tumefaciens C58 in complex with octopine.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OVZ
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BU of 5ovz by Molmil
High resolution structure of the PBP NocT in complex with nopaline
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-30
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
5OTA
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BU of 5ota by Molmil
Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with octopinic acid
分子名称: (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid, 1,2-ETHANEDIOL, Nopaline-binding periplasmic protein
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5ORE
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BU of 5ore by Molmil
Structure of the periplasmic binding protein (PBP) OccJ from agrobacterium tumefaciens B6
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Octopine-binding periplasmic protein
著者Vigouroux, A, Morera, S.
登録日2017-08-16
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OT9
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BU of 5ot9 by Molmil
Structure of the periplasmic binding protein (PBP) NocT from A.tumefaciens C58 in complex with histopine.
分子名称: 1,2-ETHANEDIOL, Histopine, Nopaline-binding periplasmic protein
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OTC
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BU of 5otc by Molmil
Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with noroctopinic acid.
分子名称: (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
6U5O
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BU of 6u5o by Molmil
Structure of the Human Metapneumovirus Polymerase bound to the phosphoprotein tetramer
分子名称: Phosphoprotein, RNA-directed RNA polymerase L
著者Pan, J, Qian, X, Lattmann, S, Sahili, A.E, Yeo, T.H, Kalocsay, M, Fearns, R, Lescar, J.
登録日2019-08-28
公開日2019-09-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of the human metapneumovirus polymerase phosphoprotein complex.
Nature, 577, 2020
5ORG
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BU of 5org by Molmil
Structure of the periplasmic binding protein (PBP) OccJ from A. tumefaciens B6 in complex with octopine.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-16
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
著者Arora, R, Benson, T.E.
登録日2016-05-23
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
7F5P
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The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form I
分子名称: 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, ...
著者Hu, S, Sahili, A, Lescar, J.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
7F5Q
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The crystal structure of VyPAL2 peptide asparaginyl ligase in its active enzyme form
分子名称: 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, ...
著者Hu, S, Sahili, A, Lescar, J.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022

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