7GS7
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000621a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, 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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7GT5
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000529a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl [(3R,4S)-3-ethyl-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate | 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 (1.61 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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7GS8
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000466a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine | 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 (1.67 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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7GSA
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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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7GSE
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7GTO
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000602a | Descriptor: | (6aR,8R,12R,12aS)-5-methyl-5,6a,7,10,11,12a-hexahydro-6H,9H-pyrazolo[1',2':1,2]pyrazolo[4,3-c]quinolin-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 (1.65 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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7GSF
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7GT9
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000463b | Descriptor: | (3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile, 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 (1.9 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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7GSH
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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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7GSL
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7GTC
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7GSI
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7GTM
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000543a | Descriptor: | (4S)-4-hydroxy-2-(propan-2-yl)-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 (1.72 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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7GT8
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7GSK
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7GTS
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7GSM
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7GTB
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7GSO
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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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7GSX
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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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