9QAD

Crystal structure of the SMARCA2 bromodomain bound to a tricyclic pyrimidoindolone inhibitor (compound 17)

This is a non-PDB format compatible entry.

Summary for 9QAD

• Entry DOI: 10.2210/pdb9qad/pdb
• Descriptor: Probable global transcription activator SNF2L2, 5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one, ZINC ION, ... (4 entities in total)
• Functional Keywords: bromodomain, fragment screening, structure-based inhibitor design, gene regulation
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 44211.76

Authors

Schimpl, M. (deposition date: 2025-02-28, release date: 2025-05-14, Last modification date: 2025-06-04)

• Primary citation: Boerth, J.A.,Schimpl, M.,Lucas, S.C.C.,Zhang, J.,Code, E.L.,Embrey, K.J.,Rawlins, P.B.,Wang, H.,Storer, R.I.,Di Fruscia, P.,Nelson, J.E.,Milbradt, A.G.,Borjesson, U.,Gohlke, A.,Korboukh, V.,Gopalsamy, A.; Discovery of Pyrimidoindolones as Novel Family VIII Bromodomain Binders; Acs Med.Chem.Lett., 2025; DOI: 10.1021/acsmedchemlett.5c00120

Experimental method

X-RAY DIFFRACTION (2.08 Å)