5QY0
| PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 | Descriptor: | (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, 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: | 2020-03-09 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5R4O
| PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-25 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5R4Z
| XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13605a | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-28 | Release date: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | XChem fragment screen To Be Published
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5R58
| PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13542a | Descriptor: | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22 | Authors: | Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. | Deposit date: | 2020-02-28 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R5R
| PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14078a | Descriptor: | 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22 | Authors: | Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. | Deposit date: | 2020-02-28 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R68
| XChem group deposition -- Crystal Structure of human YEATS4 in complex with FM000199e | Descriptor: | (1-methylbenzotriazol-5-yl)methanol, 1,2-ETHANEDIOL, YEATS domain-containing protein 4 | Authors: | Raux, B, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K.V.M. | Deposit date: | 2020-02-29 | Release date: | 2020-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | XChem group deposition To Be Published
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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
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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
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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
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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
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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
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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
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5RYP
| EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1929757385 | Descriptor: | (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
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5RZ1
| EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z27682767 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
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5RZJ
| EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434938 | Descriptor: | 1,2-ETHANEDIOL, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
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5RZZ
| EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1551999220 | Descriptor: | (2R)-3-(4-bromophenyl)-2-methylpropanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | EPB41L3 PanDDA analysis group deposition To Be Published
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5R4K
| PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000292a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q1O
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000478a | Descriptor: | 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole, DNA cross-link repair 1A protein, MALONATE 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 (1.25 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q26
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000710a | Descriptor: | 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, DNA cross-link repair 1A protein, MALONATE 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 (1.66 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q2P
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 17) | 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 (1.55 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q1V
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000166a | Descriptor: | 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, DNA cross-link repair 1A protein, MALONATE 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 (1.57 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q35
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 33) | 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 (1.47 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q2D
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 5) | 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
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5Q3P
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 53) | 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 (1.44 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q44
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 69) | 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 (1.55 Å) | Cite: | PanDDA analysis group deposition To Be Published
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