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
|
|
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
|
|
7GSJ
| |
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
|
|
7GSH
| |
7GSQ
| |
7GTC
| |
7GSU
| |
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
|
|
7GTJ
| |
7GTU
| |
7GS9
| |
7GSK
| |
7GSF
| |
7GT2
| |
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
|
|
7GTP
| |
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
|
|
7GTV
| |
7GTR
| |
8U7X
| |
8U7W
| |
8WFY
| The Crystal Structure of SHP2 from Biortus. | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-09-20 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of SHP2 from Biortus. To Be Published
|
|
8T6D
| Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | (3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | Deposit date: | 2023-06-15 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
|
|
8T6G
| Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nugyen, V, Wilbur, J.D. | Deposit date: | 2023-06-15 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
|
|