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-Structure paper
Title | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. |
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Journal, issue, pages | J. Chem. Inf. Model., Vol. 63, Page 2644-2650, Year 2023 |
Publish date | Feb 14, 2023 (structure data deposition date) |
Authors | Greisman, J.B. / Willmore, L. / Yeh, C.Y. / Giordanetto, F. / Shahamadtar, S. / Nisonoff, H. / Maragakis, P. / Shaw, D.E. |
External links | J. Chem. Inf. Model. / PubMed:37086179 |
Methods | X-ray diffraction |
Resolution | 1.45 - 1.82 Å |
Structure data | PDB-8g65: PDB-8g67: PDB-8g68: PDB-8g69: PDB-8g6a: |
Chemicals | ChemComp-YW9: ChemComp-MG: ChemComp-CL: ChemComp-DMS: ChemComp-HOH: ChemComp-KB8: ChemComp-YXF: ChemComp-YXN: ChemComp-MPD: ChemComp-ZD3: ChemComp-ZD5: ChemComp-PGE: |
Source |
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Keywords | HYDROLASE / Complex |