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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
6GWR
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STRUCTURE OF THE KINASE DOMAIN OF HUMAN DDR1 IN COMPLEX WITH A POTENT AND SELECTIVE INHIBITOR OF DDR1 AND DDR2
Descriptor:Epithelial discoidin domain-containing receptor 1, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, SULFATE ION, ...
Authors:Pinkas, D.M., Fox, A.E., Kupinska, K., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-06-25
Release date:2018-08-08
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 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
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the H1 domain of human KCTD12
To be published
6HP9
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STRUCTURE OF THE KINASE DOMAIN OF HUMAN DDR1 IN COMPLEX WITH A 2-AMINO-2,3-DIHYDRO-1H-INDENE-5-CARBOXAMIDE-BASED INHIBITOR
Descriptor:Epithelial discoidin domain-containing receptor 1, (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide
Authors:Pinkas, D.M., Fox, A.E., 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:2018-09-19
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Novel 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-Based DDR1 Selective Inhibitors with Reduced Trk Kinase Inhibition: Design, Synthesis, and Evaluation of Anti-pancreatic Cancer Activity
To Be Published