5QH5
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000224a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, N-(1,2-oxazol-3-yl)-2-phenylacetamide, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2018-05-15 | Release date: | 2019-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QHB
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-332 | Descriptor: | 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2018-05-15 | Release date: | 2019-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5NDE
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5NE3
| L2 class A serine-beta-lactamase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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5NE1
| L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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5S9D
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9E
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9C
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S99
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | Descriptor: | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9B
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex withstarting material | Descriptor: | 3-methoxybenzoic acid, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.153 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9A
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9G
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | Descriptor: | 1,3-benzothiazole-6-carboxylic acid, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.091 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9J
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | Descriptor: | 2-azanyl-3-methyl-benzoic acid, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8R
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8S
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8Z
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8V
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8W
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8T
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8Y
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S95
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S8U
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S92
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S90
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S91
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | 4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2021-01-22 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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