5S9E

PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative

Summary for 5S9E

• Entry DOI: 10.2210/pdb5s9e/pdb
• Group deposition: PanDDA analysis group deposition (G_1002190)
• Descriptor: PH-interacting protein, 4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide (3 entities in total)
• Functional Keywords: sgc - diamond i04-1 fragment screening, pandda, xchemexplorer, robotic chemistry, crystal soaking, reaction crudes, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 17956.22

Authors

Grosjean, H.,Aimon, A.,Hassel-Hart , S.,Krojer, T.,Talon, R.,Douangamath, A.,Koekemoer, L.,Biggin, P.C.,Spencer, J.,von Delft, F. (deposition date: 2021-01-22, release date: 2021-02-17, Last modification date: 2024-03-06)

• Primary citation: Grosjean, H.,Aimon, A.,Hart , S.,Krojer, T.,Talon, R.,Douangamath, A.,Koekemoer, L.,Biggin, P.C.,Spencer, J.,von Delft, F.; Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.18 Å)