6YWZ
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Summary for 6YWZ
Entry DOI | 10.2210/pdb6ywz/pdb |
Related | 6YX0 6YX1 6YX2 |
Descriptor | SH3 and multiple ankyrin repeat domains protein 1, DI(HYDROXYETHYL)ETHER, 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ... (7 entities in total) |
Functional Keywords | protein-protein interactions pdz domain, hybrid structures, fragment-based drug discovery, beta-sheets, acylhydrazone, peptide binding protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 26136.16 |
Authors | Hegedus, Z.,Hobor, F.,Shoemark, D.K.,Celis, S.,Lian, L.J.,Trinh, C.H.,Sessions, R.B.,Edwards, T.A.,Wilson, A.J. (deposition date: 2020-04-30, release date: 2021-01-20, Last modification date: 2024-01-24) |
Primary citation | Hegedus, Z.,Hobor, F.,Shoemark, D.K.,Celis, S.,Lian, L.Y.,Trinh, C.H.,Sessions, R.B.,Edwards, T.A.,Wilson, A.J. Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12:2286-2293, 2021 Cited by PubMed: 34163995DOI: 10.1039/d0sc05694d PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.12 Å) |
Structure validation
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