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8PLC
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BU of 8plc by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 13.
Descriptor: (1~{R})-1-(4-ethoxyphenyl)ethanamine, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors: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.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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.
Descriptor: (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors: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.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite: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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BU of 8plp by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 26.
Descriptor: (3R)-1-methylpiperidin-3-yl furan-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
Authors: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.
Deposit date:2023-06-27
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
6Z97
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BU of 6z97 by Molmil
Structure of the prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-06-03
Release date:2020-07-01
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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
Descriptor: 1,2-ETHANEDIOL, 2-oxopentanoic acid, CALCIUM ION, ...
Authors:Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T.
Deposit date:2022-03-24
Release date:2023-04-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium
To Be Published
5EYT
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BU of 5eyt by Molmil
Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase
Authors:Romanello, L, Torini, J.R, Bird, L, Nettleship, J, Owens, R, Reddivari, Y, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-11-25
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3649 Å)
Cite:Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
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
Descriptor: Proton-coupled folate transporter, nanobody
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2020-12-18
Release date:2021-05-12
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 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
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2020-12-18
Release date:2021-05-12
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
6ZFO
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BU of 6zfo by Molmil
Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZDH
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BU of 6zdh by Molmil
SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-01
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6Z43
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BU of 6z43 by Molmil
Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
Authors:Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZER
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BU of 6zer by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-16
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZH9
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BU of 6zh9 by Molmil
Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2)
Descriptor: CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ...
Authors:Naismith, J.H, Mikolajek, H, Le Bas, A.
Deposit date:2020-06-21
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
7B3Y
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BU of 7b3y by Molmil
Structure of a nanoparticle for a COVID-19 vaccine candidate
Descriptor: Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Duyvesteyn, H.M.E, Stuart, D.I.
Deposit date:2020-12-01
Release date:2021-01-13
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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)
Descriptor: Serine/threonine-protein kinase LMTK3
Authors:Roe, S.M, Owen, R.
Deposit date:2019-07-30
Release date:2020-11-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
6IAK
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BU of 6iak by Molmil
The crystal structure of the chicken CREB3 bZIP
Descriptor: Uncharacterized protein
Authors:Sabaratnam, K, Renner, M.
Deposit date:2018-11-26
Release date:2019-12-11
Last modified:2020-06-24
Method:X-RAY DIFFRACTION (3.95 Å)
Cite: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
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
Descriptor: 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, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-01
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7QUS
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BU of 7qus by Molmil
SARS-CoV-2 Spike, C3 symmetry
Descriptor: 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, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-08
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2019-08-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Collagen alpha-3(VI) chain
Authors:Gebauer, J.M, Degefa, H.S, Paulsson, M, Wagener, R, Baumann, U.
Deposit date:2019-08-26
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a collagen VI alpha 3 chain VWA domain array: adaptability and functional implications of myopathy causing mutations.
J.Biol.Chem., 295, 2020
6YM0
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BU of 6ym0 by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1)
Descriptor: Spike glycoprotein, heavy chain, light chain
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-07
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.36 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6YOR
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BU of 6yor by Molmil
Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab
Descriptor: IgG H chain, IgG L chain, Spike glycoprotein
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-15
Release date:2020-04-29
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6YLA
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BU of 6yla by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020

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