Author results

6HCR
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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
5G3Q
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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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STRUCTURE OF THE DOMAIN OF UNKNOWN FUNCTION DUF1669 FROM HUMAN FAM83B
Descriptor:Protein FAM83B, IODIDE ION, 1,2-ETHANEDIOL
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
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure of the domain of unknown function DUF1669 from human FAM83B
To Be Published
5O1V
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A MONOPHOSPHORYLATED APO STATE (A-LOOP SWAPPED)
Descriptor:Serine/threonine-protein kinase WNK3, 1,2-ETHANEDIOL
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
5O21
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A MONOPHOSPHORYLATED STATE WITH CHLORIDE BOUND IN THE ACTIVE SITE
Descriptor:Serine/threonine-protein kinase WNK3, CHLORIDE ION, 1,2-ETHANEDIOL
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
5O23
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A MONOPHOSPHORYLATED APO STATE
Descriptor:Serine/threonine-protein kinase WNK3, SULFATE ION, 1,2-ETHANEDIOL
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
5O26
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A DIPHOSPHORYLATED STATE AND IN COMPLEX WITH AMP-PNP/MG2+
Descriptor:Serine/threonine-protein kinase WNK3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
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
5O2B
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A DIPHOSPHORYLATED STATE AND IN A COMPLEX WITH THE INHIBITOR PP-121
Descriptor:Serine/threonine-protein kinase WNK3, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, SODIUM ION
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
5O2C
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CRYSTAL STRUCTURE OF WNK3 KINASE AND CCT1 DIDOMAIN IN A UNPHOSPHORYLATED STATE
Descriptor:Serine/threonine-protein kinase WNK3, DI(HYDROXYETHYL)ETHER, GLYCEROL
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
5QHI
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000271A
Descriptor:Protein FAM83B, IODIDE ION, 1,2-ETHANEDIOL, ...
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
5QHJ
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000709A
Descriptor:Protein FAM83B, IODIDE ION, 1,2-ETHANEDIOL, ...
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 (1.68 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHK
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000010A
Descriptor:Protein FAM83B, IODIDE ION, 1,2-ETHANEDIOL, ...
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 (1.61 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHL
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000551A
Descriptor:Protein FAM83B, IODIDE ION, 1,2-ETHANEDIOL, ...
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 (1.68 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHM
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH OX-145
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridine-2-thione
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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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000622A
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, 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
5QHO
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000010A
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, di(piperidin-1-yl)methanone
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 (1.66 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHP
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000554A
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
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 (2.06 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHQ
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000574A
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, 1-[(4-fluorophenyl)methyl]benzimidazole
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
5QHR
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FMOPL000635A
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
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 (1.68 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHS
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF HUMAN FAM83B IN COMPLEX WITH FF000014A
Descriptor:Protein FAM83B, 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridin-2-one
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 (1.95 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
6ELM
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CRYSTAL STRUCTURE OF THE HUMAN WNK2 CCT1 DOMAIN
Descriptor:Serine/threonine-protein kinase WNK2
Authors:Pinkas, D.M., Bufton, J.C., Newman, J.A., Chalk, R., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2017-09-29
Release date:2017-12-20
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structure of the human WNK2 CCT1 domain
To Be Published
6ES0
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF HUMAN RIPK2 IN COMPLEX WITH THE ACTIVATION LOOP TARGETING INHIBITOR CS-R35
Descriptor:Receptor-interacting serine/threonine-protein kinase 2, 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid
Authors:Pinkas, D.M., Bufton, J.C., Suebsuwong, C., Ray, S.S., Dai, B., Newman, J.A., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Degterev, A., Cuny, G.D., Bullock, A.N.
Deposit date:2017-10-19
Release date:2018-02-21
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6FBK
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CRYSTAL STRUCTURE OF THE HUMAN WNK2 CCT-LIKE 1 DOMAIN IN COMPLEX WITH A WNK1 RFXV PEPTIDE
Descriptor:Serine/threonine-protein kinase WNK2, Serine/threonine-protein kinase WNK1
Authors:Pinkas, D.M., Bufton, J.C., Burgess-Brown, N.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2017-12-19
Release date:2018-01-24
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Crystal structure of the human WNK2 CCT-like 1 domain in complex with a WNK1 RFXV peptide
To Be Published
6FU5
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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:2018-09-12
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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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:2019-07-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the H1 domain of human KCTD12
To be published
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