5RKK
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z275181224 | Descriptor: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide, 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 (1.43 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5Q1M
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000740a | 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 (1.56 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q1T
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000492a | Descriptor: | 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, 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 (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q67
| PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 144) | 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 (1.65 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R5U
| PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1545312521 | Descriptor: | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5RJT
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z404993336 | Descriptor: | 5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide, 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 (1.169 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK8
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z53116498 | Descriptor: | 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, 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 (1.272 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKJ
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768898 | Descriptor: | N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide, 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 (1.46 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RJR
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z45705015 | Descriptor: | PH-interacting protein, ~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide | 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 (1.27 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK7
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31721097 | Descriptor: | PH-interacting protein, ethyl morpholine-4-carboxylate | 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 (1.304 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKP
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1079512010 | Descriptor: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-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 (1.35 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5R60
| PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z19735067 | Descriptor: | 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R5X
| PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1259335913 | Descriptor: | 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5R63
| PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z319545618 | Descriptor: | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5RJN
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024673 | Descriptor: | 4-bromo-1-(2-methoxyethyl)-1H-pyrazole, 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 (1.435 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK4
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z56791867 | Descriptor: | N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, 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 (1.284 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RAP
| PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM000707a | Descriptor: | (3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine, 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 (1.9 Å) | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RKH
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31432917 | Descriptor: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, 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 (1.252 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKX
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1324080698 | Descriptor: | 3-fluoro-5-methylbenzene-1-sulfonamide, 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 (1.24 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RJM
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024671 | Descriptor: | 2-(4-bromo-1H-pyrazol-1-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 (1.407 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RK6
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194394 | Descriptor: | 4-(4-fluorophenyl)piperazine-1-carboxamide, 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 (1.241 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5RKL
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403 | Descriptor: | 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, 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 (1.36 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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5R5Y
| PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z509756472 | Descriptor: | N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide, Tenascin C (Hexabrachion), isoform CRA_a | Authors: | Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5RJS
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285642082 | Descriptor: | N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide, 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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5RK9
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z461898648 | Descriptor: | N,N-dimethyl-1H-pyrazole-4-carboxamide, 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 (1.48 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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