38HC

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z9941018066

This is a non-PDB format compatible entry.

Summary for 38HC

• Entry DOI: 10.2210/pdb38hc/pdb
• Related: 38HB
• Descriptor: Non-structural protein 3, N-[(5M)-5-(3-methyl-1H-pyrazol-4-yl)pyridin-3-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, ... (6 entities in total)
• Functional Keywords: macrodomain, sars-cov-2, viral protein, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 37288.76

Authors

Lyubimov, A.Y.,Zielinski, K.A.,Fraser, J.S. (deposition date: 2026-08-26, release date: 2026-10-14)

• Primary citation: Igashov, I.,Schneuing, A.,Dobbelstein, A.W.,Morozova, I.,Neeser, R.,Zielinski, K.A.,Abriata, L.A.,Petruzzella, A.S.,Iosub, D.R.P.,Gampp, O.,Lyubimov, A.Y.,Elizarova, E.,Ferrara, I.,Sousa, P.M.F.,Lemos, A.R.,Testori, F.,Herrera, P.A.M.,Kanis, L.,Schmidt, J.,Braza, M.K.E.,Amaro, R.E.,Thoma, N.,Ferraris, D.M.,Riek, R.,Fraser, J.S.,Schwaller, P.,Bronstein, M.,Correia, B.; A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.12 Å)