8AAO

Crystal structure of the PDZ tandem of syntenin in complex with compound 95

Summary for 8AAO

Entry DOI	10.2210/pdb8aao/pdb
Descriptor	Syntenin-1, (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid (3 entities in total)
Functional Keywords	signaling protein cell adhesion pdz domain syntenin syndecan drug design, signaling protein
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	37014.39
Authors	Feracci, M.,Barral, K. (deposition date: 2022-07-01, release date: 2023-04-26, Last modification date: 2024-02-07)
Primary citation	Hoffer, L.,Garcia, M.,Leblanc, R.,Feracci, M.,Betzi, S.,Ben Yaala, K.,Daulat, A.M.,Zimmermann, P.,Roche, P.,Barral, K.,Morelli, X. Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach. J.Med.Chem., 66:4633-4658, 2023 Cited by PubMed: 36939673 DOI: 10.1021/acs.jmedchem.2c01569 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.469 Å)

Structure validation