8G68
Wildtype PTP1b in complex with DES5742
Summary for 8G68
| Entry DOI | 10.2210/pdb8g68/pdb |
| Descriptor | Tyrosine-protein phosphatase non-receptor type 1, 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline (3 entities in total) |
| Functional Keywords | complex, hydrolase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 69843.67 |
| Authors | Greisman, J.B.,Willmore, L.,Yeh, C.Y.,Giordanetto, F.,Shahamadtar, S.,Nisonoff, H.,Maragakis, P.,Shaw, D.E. (deposition date: 2023-02-14, release date: 2023-04-26, Last modification date: 2023-05-17) |
| Primary citation | Greisman, J.B.,Willmore, L.,Yeh, C.Y.,Giordanetto, F.,Shahamadtar, S.,Nisonoff, H.,Maragakis, P.,Shaw, D.E. Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63:2644-2650, 2023 Cited by PubMed: 37086179DOI: 10.1021/acs.jcim.3c00236 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.82 Å) |
Structure validation
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