8USS

IL17A complexed to Compound 7

Summary for 8USS

Entry DOI	10.2210/pdb8uss/pdb
Descriptor	Interleukin-17A, 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	homodimer, inhibitor, del, cytokine
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	15066.18
Authors	Argiriadi, M.A.,Ramos, A.L. (deposition date: 2023-10-29, release date: 2024-04-03, Last modification date: 2024-04-17)
Primary citation	Ramos, A.L.,Goedken, E.R.,Frank, K.E.,Argiriadi, M.A.,Bazzaz, S.,Bian, Z.,Brown, J.T.C.,Centrella, P.A.,Chen, H.J.,Disch, J.S.,Donner, P.L.,Duignan, D.B.,Gikunju, D.,Greszler, S.N.,Guie, M.A.,Habeshian, S.,Hartl, H.E.,Hein, C.D.,Hutchins, C.W.,Jetson, R.,Keefe, A.D.,Khan, H.,Li, H.Q.,Olszewski, A.,Ortiz Cardona, B.J.,Osuma, A.,Panchal, S.C.,Phelan, R.,Qiu, W.,Shotwell, J.B.,Shrestha, A.,Srikumaran, M.,Su, Z.,Sun, C.,Upadhyay, A.K.,Wood, M.D.,Wu, H.,Zhang, R.,Zhang, Y.,Zhao, G.,Zhu, H.,Webster, M.P. Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 2024 Cited by PubMed: 38574366 DOI: 10.1021/acs.jmedchem.3c02397 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.47 Å)

Structure validation