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8PLO
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 25.
分子名称: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLR
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BU of 8plr by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 28.
分子名称: (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLP
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Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 26.
分子名称: (3R)-1-methylpiperidin-3-yl furan-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
7UG8
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BU of 7ug8 by Molmil
Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium
分子名称: 1,2-ETHANEDIOL, 2-oxopentanoic acid, CALCIUM ION, ...
著者Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T.
登録日2022-03-24
公開日2023-04-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium
To Be Published
6IAK
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BU of 6iak by Molmil
The crystal structure of the chicken CREB3 bZIP
分子名称: Uncharacterized protein
著者Sabaratnam, K, Renner, M.
登録日2018-11-26
公開日2019-12-11
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Insights from the crystal structure of the chicken CREB3 bZIP suggest that members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress.
Protein Sci., 28, 2019
7B3Y
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BU of 7b3y by Molmil
Structure of a nanoparticle for a COVID-19 vaccine candidate
分子名称: Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
著者Duyvesteyn, H.M.E, Stuart, D.I.
登録日2020-12-01
公開日2021-01-13
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses.
Nat Commun, 12, 2021
6SEQ
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BU of 6seq by Molmil
Lemur tyrosine kinase 3 (LMTK3)
分子名称: Serine/threonine-protein kinase LMTK3
著者Roe, S.M, Owen, R.
登録日2019-07-30
公開日2020-11-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
7BC6
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BU of 7bc6 by Molmil
Cryo-EM structure of the outward open proton coupled folate transporter at pH 7.5
分子名称: Proton-coupled folate transporter, nanobody
著者Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
登録日2020-12-18
公開日2021-05-12
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
7BC7
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BU of 7bc7 by Molmil
Cryo-EM structure of the proton coupled folate transporter at pH 6.0 bound to pemetrexed
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Proton-coupled folate transporter, nanobody
著者Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
登録日2020-12-18
公開日2021-05-12
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
分子名称: 2,3,5-tris(iodanyl)benzamide, 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Naismith, J.H, Yang, Y, Liu, J.W.
登録日2022-01-18
公開日2022-06-01
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7QUS
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SARS-CoV-2 Spike, C3 symmetry
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
著者Naismith, J.H, Yang, Y, Liu, J.W.
登録日2022-01-18
公開日2022-06-08
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
6SIR
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BU of 6sir by Molmil
Crystal structure of the guanylate cyclase domain of RhGC from Catenaria anguillulae in complex with GTP
分子名称: CALCIUM ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Butryn, A, Orville, A.M.
登録日2019-08-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis for GTP recognition by light-activated guanylate cyclase RhGC.
Febs J., 287, 2020
6SNK
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BU of 6snk by Molmil
Crystal structure of the Collagen VI alpha3 N2 domain
分子名称: Collagen alpha-3(VI) chain
著者Gebauer, J.M, Degefa, H.S, Paulsson, M, Wagener, R, Baumann, U.
登録日2019-08-26
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a collagen VI alpha 3 chain VWA domain array: adaptability and functional implications of myopathy causing mutations.
J.Biol.Chem., 295, 2020
5N5H
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BU of 5n5h by Molmil
Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION
著者Salimraj, R, Hinchliffe, P, Spencer, J.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5N5I
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BU of 5n5i by Molmil
Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Salimraj, R, Hinchliffe, P, Spencer, J.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5N5G
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BU of 5n5g by Molmil
Crystal structure of di-zinc metallo-beta-lactamase VIM-1
分子名称: BICINE, Beta-lactamase VIM-1, ZINC ION
著者Salimraj, R, Hinchliffe, P, Spencer, J.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5EYT
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BU of 5eyt by Molmil
Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase
著者Romanello, L, Torini, J.R, Bird, L, Nettleship, J, Owens, R, Reddivari, Y, Brandao-Neto, J, Pereira, H.M.
登録日2015-11-25
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3649 Å)
主引用文献Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
7ZAV
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BU of 7zav by Molmil
GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-22
公開日2022-11-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA1
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GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA3
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GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZAW
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BU of 7zaw by Molmil
GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-22
公開日2022-11-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA2
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GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
3X1O
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BU of 3x1o by Molmil
Crystal structure of the ROQ domain of human Roquin
分子名称: IODIDE ION, Roquin-1
著者Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y.
登録日2014-11-26
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis
Nat Commun, 6, 2015
7OAO
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Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAQ
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Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021

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