7GU7
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7GU9
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7GTX
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7GTW
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7GU0
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7GTZ
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7GU6
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7GU1
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7GUB
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7GTY
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7GUA
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7GU8
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7GUC
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7GU2
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7GU3
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7GU5
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7GU4
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7FQV
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000847b | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N,N-dimethylpyridin-4-amine, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRT
| PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster 1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-26 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQT
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000293a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQU
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000470b | Descriptor: | (3-chlorophenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRP
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000245b | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRF
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000089a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 3-(methylsulfonylamino)benzoate | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQM
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000619a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRE
| PanDDA analysis group deposition -- Crystal structure of PTP1B after initial refinement with no ligand modeled | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-20 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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