5Q6C
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 149) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QQN
| PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-010-382-606 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide, ... | 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 (2.26 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5Q6H
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 154) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5Q6V
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 168) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5Q6O
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 161) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QQE
| PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-531-494 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]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 (1.95 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QQK
| PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-359-835 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-{1-[2-(diethylamino)ethyl]-1H-indol-5-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 (2.24 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QQG
| PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-541-216 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]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 (2.23 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5QQF
| PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-004-412-710 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-1,3-thiazol-2-ylurea, ... | 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 (2.26 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
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
|
|
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
|
|
5QQM
| PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-325 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(1-benzyl-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 (2.02 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5Q1N
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000295a | Descriptor: | DNA cross-link repair 1A protein, MALONATE ION, NICKEL (II) ION, ... | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|