8G67

Wildtype PTP1b in complex with DES4884

Summary for 8G67

Entry DOI	10.2210/pdb8g67/pdb
Descriptor	Tyrosine-protein phosphatase non-receptor type 1, 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, MAGNESIUM ION, ... (5 entities in total)
Functional Keywords	complex, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	70134.18
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: 37086179 DOI: 10.1021/acs.jcim.3c00236 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.53 Å)

Structure validation