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: 34163995 DOI: 10.1039/d0sc05694d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.12 Å)

Structure validation