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7QG6
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BU of 7qg6 by Molmil
Co-crystal structure of UPF3A-RRM-NOPS-L with UPF2-MIF4GIII
Descriptor: CHLORIDE ION, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3A, ...
Authors:Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C.
Deposit date:2021-12-07
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
6HCR
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BU of 6hcr by Molmil
Synthetic Self-assembling ADDomer Platform for Highly Efficient Vaccination by Genetically-encoded Multi-epitope Display
Descriptor: Penton protein
Authors:Bufton, J.C, Berger, I, Schaffitzel, C, Garzoni, F, Rabi, F.A.
Deposit date:2018-08-16
Release date:2019-08-28
Last modified:2019-10-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display.
Sci Adv, 5, 2019
8C9N
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BU of 8c9n by Molmil
MiniCoV-ADDomer, a SARS-CoV-2 epitope presenting viral like particle
Descriptor: Penton protein
Authors:Bufton, J.C, Capin, J, Boruku, U, Garzoni, F, Schaffitzel, C, Berger, I.
Deposit date:2023-01-23
Release date:2023-12-06
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.36 Å)
Cite:In vitro generated antibodies guide thermostable ADDomer nanoparticle design for nasal vaccination and passive immunization against SARS-CoV-2.
Antib Ther, 6, 2023
7NWU
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BU of 7nwu by Molmil
Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII
Descriptor: PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ...
Authors:Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C.
Deposit date:2021-03-17
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
5G3Q
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BU of 5g3q by Molmil
Crystal structure of a hypothetical domain in WNK1
Descriptor: WNK1
Authors:Pinkas, D.M, Bufton, J.C, Sanvitale, C.E, Bartual, S.G, Adamson, R.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2016-04-29
Release date:2017-05-31
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Crystal Structure of a Hypothetical Domain in Wnk1
To be Published
5LZK
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BU of 5lzk by Molmil
Structure of the domain of unknown function DUF1669 from human FAM83B
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B
Authors:Pinkas, D.M, Bufton, J.C, Williams, E.P, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure of the domain of unknown function DUF1669 from human FAM83B
To Be Published
6FU5
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BU of 6fu5 by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18
Descriptor: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2018-02-26
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.
EMBO J., 37, 2018
6QZL
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BU of 6qzl by Molmil
Structure of the H1 domain of human KCTD12
Descriptor: BTB/POZ domain-containing protein KCTD12
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
Deposit date:2019-03-11
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the H1 domain of human KCTD12
To be published
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
Descriptor: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-06-18
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
7BE6
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BU of 7be6 by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159
Descriptor: 1,2-ETHANEDIOL, 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide, Epithelial discoidin domain-containing receptor 1, ...
Authors:Pinkas, D.M, Bufton, J.C, Roehm, S, Joerger, A.C, Knapp, S, Bullock, A.N, Structural Genomics Consortium (SGC)
Deposit date:2020-12-22
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87081933 Å)
Cite:Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
Descriptor: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
Deposit date:2019-06-28
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of human KCTD1
To be published
7NWG
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BU of 7nwg by Molmil
Mammalian pre-termination 80S ribosome with Hybrid P/E- and A/P-site tRNA's bound by Blasticidin S.
Descriptor: 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
7NWH
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BU of 7nwh by Molmil
Mammalian pre-termination 80S ribosome with eRF1 and eRF3 bound by Blasticidin S.
Descriptor: 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
7NWI
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BU of 7nwi by Molmil
Mammalian pre-termination 80S ribosome with Empty-A site bound by Blasticidin S
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA+BlaS, 40S ribosomal protein S11, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
5O2C
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BU of 5o2c by Molmil
Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine/threonine-protein kinase WNK3
Authors:Bartual, S.G, Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
To Be Published
5O23
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BU of 5o23 by Molmil
Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase WNK3
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Sethi, R, Newman, J.A, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
To Be Published
5O21
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BU of 5o21 by Molmil
Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase WNK3
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Fairhead, M, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site
To Be Published
5O2B
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BU of 5o2b by Molmil
Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
Descriptor: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, SODIUM ION, Serine/threonine-protein kinase WNK3
Authors:Pinkas, D.M, Bufton, J.C, Newman, J.A, Borkowska, O, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
To Be Published
5O1V
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BU of 5o1v by Molmil
Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped)
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase WNK3
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Fairhead, M, Kopec, J, Sethi, R, Dixon-Clarke, S.E, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped)
To Be Published
5O26
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BU of 5o26 by Molmil
Crystal structure of WNK3 kinase domain in a diphosphorylated state and in complex with AMP-PNP/Mg2+
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Pinkas, D.M, Bufton, J.C, Newman, J.A, Kopec, J, Borkowska, O, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.379 Å)
Cite:Crystal structure of WNK3 kinase domain in a diphosphorylated state and in complex with AMP-PNP/Mg2+
To Be Published
5QHM
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BU of 5qhm by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with OX-145
Descriptor: 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridine-2-thione, Protein FAM83B
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
Deposit date:2018-05-18
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHN
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BU of 5qhn by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000622a
Descriptor: 1,2-ETHANEDIOL, Protein FAM83B, methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
Deposit date:2018-05-18
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHK
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BU of 5qhk by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ...
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
Deposit date:2018-05-18
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHQ
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BU of 5qhq by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000574a
Descriptor: 1,2-ETHANEDIOL, 1-[(4-fluorophenyl)methyl]benzimidazole, Protein FAM83B
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
Deposit date:2018-05-18
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHI
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BU of 5qhi by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000271a
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ...
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
Deposit date:2018-05-18
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published

 

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