8DKB

Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b

Summary for 8DKB

• Entry DOI: 10.2210/pdb8dkb/pdb
• Descriptor: YEATS domain-containing protein 4, N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide (3 entities in total)
• Functional Keywords: protein binding, histone binding, lysine-acetylated histone binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 8
• Total formula weight: 149147.62

Authors

Dias, J.M.,Byrnes, L.J.,Varghese, A.H. (deposition date: 2022-07-05, release date: 2023-01-11, Last modification date: 2023-10-25)

• Primary citation: Londregan, A.T.,Aitmakhanova, K.,Bennett, J.,Byrnes, L.J.,Canterbury, D.P.,Cheng, X.,Christott, T.,Clemens, J.,Coffey, S.B.,Dias, J.M.,Dowling, M.S.,Farnie, G.,Fedorov, O.,Fennell, K.F.,Gamble, V.,Gileadi, C.,Giroud, C.,Harris, M.R.,Hollingshead, B.D.,Huber, K.,Korczynska, M.,Lapham, K.,Loria, P.M.,Narayanan, A.,Owen, D.R.,Raux, B.,Sahasrabudhe, P.V.,Ruggeri, R.B.,Saez, L.D.,Stock, I.A.,Thuma, B.A.,Tsai, A.,Varghese, A.E.; Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.; J.Med.Chem., 66:460-472, 2023; PubMed: 36562986; DOI: 10.1021/acs.jmedchem.2c01421

Experimental method

X-RAY DIFFRACTION (2.58 Å)