8G6A
Wildtype PTP1b in complex with DES6016
Summary for 8G6A
Entry DOI | 10.2210/pdb8g6a/pdb |
Descriptor | Tyrosine-protein phosphatase non-receptor type 1, {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol, {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol, ... (7 entities in total) |
Functional Keywords | complex, hydrolase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 70344.40 |
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: 2024-05-22) |
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 (1.62 Å) |
Structure validation
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