7GSY
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7GSZ
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![BU of 7gsz by Molmil](/molmil-images/mine/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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7GT0
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7GT1
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![BU of 7gt1 by Molmil](/molmil-images/mine/7gt1) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000209a | Descriptor: | (2S)-2-(2-chloro-6-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-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 (1.91 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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7GT2
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7GT3
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![BU of 7gt3 by Molmil](/molmil-images/mine/7gt3) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000527a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3R,3aS,8bS)-1-acetyl-5-methyl-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrole-3-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 (1.59 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
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![BU of 7gt4 by Molmil](/molmil-images/mine/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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7GT5
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![BU of 7gt5 by Molmil](/molmil-images/mine/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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7GT6
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![BU of 7gt6 by Molmil](/molmil-images/mine/7gt6) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000530a | Descriptor: | (3aS,8aS)-6-benzoyloctahydropyrrolo[3,4-d]azepin-1(2H)-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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7GT7
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![BU of 7gt7 by Molmil](/molmil-images/mine/7gt7) | |
7GT8
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![BU of 7gt8 by Molmil](/molmil-images/mine/7gt8) | |
7GT9
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![BU of 7gt9 by Molmil](/molmil-images/mine/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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7GTA
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![BU of 7gta by Molmil](/molmil-images/mine/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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7GTB
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7GTC
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7GTD
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7GTE
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![BU of 7gte by Molmil](/molmil-images/mine/7gte) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000646b | Descriptor: | (5S)-5-(trifluoromethyl)-1,4-diazepane, 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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7GTF
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![BU of 7gtf by Molmil](/molmil-images/mine/7gtf) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000754b | Descriptor: | 1,2-benzoxazol-3-ol, 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 (1.97 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
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![BU of 7gtg by Molmil](/molmil-images/mine/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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7GTH
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![BU of 7gth by Molmil](/molmil-images/mine/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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7GTI
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![BU of 7gti by Molmil](/molmil-images/mine/7gti) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000571a | Descriptor: | 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-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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7GTJ
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7GTK
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![BU of 7gtk by Molmil](/molmil-images/mine/7gtk) | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000552a | Descriptor: | (4R)-2-(2-hydroxyethyl)-4-methoxy-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 (1.76 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
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![BU of 7gtl by Molmil](/molmil-images/mine/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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7GTM
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![BU of 7gtm by Molmil](/molmil-images/mine/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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