9FL3

Crystal structure of IL-17A in complex with compound 26

This is a non-PDB format compatible entry.

Summary for 9FL3

• Entry DOI: 10.2210/pdb9fl3/pdb
• Descriptor: Interleukin-17A, (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide (3 entities in total)
• Functional Keywords: inhibitor, complex, cytokine
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 29090.66

Authors

Rondeau, J.M.,Lehmann, S.,Scheufler, C. (deposition date: 2024-06-04, release date: 2024-10-02)

• Primary citation: Velcicky, J.,Bauer, M.R.,Schlapbach, A.,Lapointe, G.,Meyer, A.,Vogtle, M.,Blum, E.,Ngo, E.,Rolando, C.,Nimsgern, P.,Teixeira-Fouchard, S.,Lehmann, H.,Furet, P.,Berst, F.,Schumann, J.,Stringer, R.,Larger, P.,Schmid, C.,Prendergast, C.T.,Riek, S.,Schmutz, P.,Lehmann, S.,Berghausen, J.,Scheufler, C.,Rondeau, J.M.,Burkhart, C.,Knoepfel, T.,Gommermann, N.; Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.; J.Med.Chem., 2024; PubMed: 39276085; DOI: 10.1021/acs.jmedchem.4c01520

Experimental method

X-RAY DIFFRACTION (2.068 Å)