5QQJ
 
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-587-558 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
5QHR
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a | | Descriptor: | 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine, 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 (1.68 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
|
|
4Z30
 | | Crystal structure of the ROQ domain of human Roquin-2 | | Descriptor: | Roquin-2, UNKNOWN ATOM OR ION | | Authors: | DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-30 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins.
Sci Rep, 5, 2015
|
|
4NR9
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
|
|
5QQH
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-020-096-465 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
5QQL
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-301 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
3FE4
 | | Crystal Structure of Human Carbonic Anhydrase vi | | Descriptor: | Carbonic anhydrase 6, GLYCEROL, MAGNESIUM ION | | Authors: | Pilka, E.S, Kochan, G, Krysztofinska, E, Muniz, J, Yue, W.W, Roos, A.K, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-27 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the secretory isozyme of mammalian carbonic anhydrases CA VI: implications for biological assembly and inhibitor development
Biochem.Biophys.Res.Commun., 419, 2012
|
|
3FEO
 | | The crystal structure of MBTD1 | | Descriptor: | MBT domain-containing protein 1 | | Authors: | Amaya, M.F, Eryilmaz, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-30 | | Release date: | 2009-01-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies of a four-MBT repeat protein MBTD1.
Plos One, 4, 2009
|
|
5QQI
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-178-994 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
5QXJ
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC578 | | Descriptor: | (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | Deposit date: | 2020-02-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
5QXK
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC581 | | Descriptor: | (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | Deposit date: | 2020-02-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
5QQD
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with Z56880342 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
5QXM
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | Deposit date: | 2020-02-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
5QXL
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | Deposit date: | 2020-02-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
5QU9
 | | PanDDA analysis group deposition of ground-state model of Kalirin/Rac1 screened against a customized urea fragment library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, Ras-related C3 botulinum toxin substrate 1 | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-12-13 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
5QXN
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 | | Descriptor: | (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | Deposit date: | 2020-02-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
|
|
4OGI
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-01-16 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Nat.Chem.Biol., 10, 2014
|
|
5RAJ
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with BD009815a | | Descriptor: | 2,4-dichloro-N-(pyridin-3-yl)benzamide, CHLORIDE ION, Lysine-specific demethylase 3B, ... | | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
|
|
5RB1
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001700a | | Descriptor: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
|
|
5RJP
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024672 | | Descriptor: | 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.242 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
5RK3
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1501469697 | | Descriptor: | 3-amino-1,6-dimethylpyridin-2(1H)-one, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
5RKN
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768900 | | Descriptor: | N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
5RJW
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z256709556 | | Descriptor: | 3-methylthiophene-2-carboxylic acid, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.514 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
5RKB
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2004563941 | | Descriptor: | (1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.279 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
5RKR
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1432018343 | | Descriptor: | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
|
|
