7FQN
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000497a | Descriptor: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol, 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 (2.04 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRS
| PanDDA analysis group deposition of ground-state model of PTP1B | 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 (1.83 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRJ
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434770 | Descriptor: | 1-(3-chlorophenyl)-N-methylmethanamine, 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: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7GU5
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7GU4
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7GSL
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7GSM
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7GT0
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7GTA
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000065a | Descriptor: | (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GTH
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000637a | Descriptor: | (6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GTL
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000554a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, benzyl (3aS,8aS)-1-oxooctahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GSD
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000605a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GSO
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7GSF
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7GSW
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7GSZ
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000686b | Descriptor: | 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GT4
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000528a | Descriptor: | (4R)-4-hydroxy-2-(2-hydroxyethyl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GST
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000056a | Descriptor: | 1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GTG
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000684a | Descriptor: | (5R,7S,8R,8aS)-2-(cyclopropylmethyl)-8-phenyloctahydropyrrolo[1,2-a]pyrazine-7-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GTQ
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000311a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GTN
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000625a | Descriptor: | 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GU7
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7GSC
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000729a | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | Deposit date: | 2024-01-03 | Release date: | 2024-01-24 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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7GU9
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7GTX
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