Author results

6S1F
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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
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
6SD8
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BD2924 APO-FORM
Descriptor:Probable acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Lovering, A.L., Harding, C.J.
Deposit date:2019-07-26
Release date:2019-09-11
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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
6G57
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STRUCTURE OF THE H1 DOMAIN OF HUMAN KCTD8
Descriptor:BTB/POZ domain-containing protein KCTD8
Authors:Pinkas, D.M., Bufton, J.C., Strain-Damerell, C.M., Fairhead, M., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-03-29
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the H1 domain of human KCTD8
To Be Published
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
6CP8
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CONTACT-DEPENDENT GROWTH INHIBITION TOXIN-IMMUNITY PROTEIN COMPLEX FROM FROM E. COLI 3006
Descriptor:CdiA, CdiI, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Michalska, K., Stols, L., Eschenfeldt, W., Hayes, C.S., Goulding, C.W., Joachimiak, A., Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
6CP9
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CONTACT-DEPENDENT GROWTH INHIBITION TOXIN - IMMUNITY PROTEIN COMPLEX FROM KLEBSIELLA PNEUMONIAE 342
Descriptor:CdiA, CdiI
Authors:Michalska, K., Stols, L., Eschenfeldt, W., Hayes, C.S., Goulding, C.W., Joachimiak, A., Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
6QB7
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STRUCTURE OF THE H1 DOMAIN OF HUMAN KCTD16
Descriptor:BTB/POZ domain-containing protein KCTD16, PHOSPHATE ION
Authors:Pinkas, D.M., Bufton, J.C., Williams, E.P., Strain-Damerell, C., 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:2018-12-20
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure of the H1 domain of human KCTD16
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
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
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
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
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
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