9RZB

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with SRI1.112 at room temperature

This is a non-PDB format compatible entry.

Summary for 9RZB

• Entry DOI: 10.2210/pdb9rzb/pdb
• Descriptor: Papain-like protease nsp3, 2-[(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylcarbonylamino)methyl]benzoic acid (3 entities in total)
• Functional Keywords: sars-cov-2, macrodomain, room temperature, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 18572.05

Authors

Lambert, M.C.,Aledavood, E.,Born, J.,Fairhead, M.,Gil, C.,Koekemoer, L.,Martinez, A.,Mikolajek, H.,Ramos, S.,Sanchez-Weatherby, J.,Sandy, J.,Thompson, A.J.,von Delft, F.,Walsh, M.,Wang, S.,Williams, E.P.,Hough, M.A. (deposition date: 2025-07-15, release date: 2026-07-29)

• Primary citation: Lambert, M.C.,Thompson, A.J.,Sanchez-Weatherby, J.,Sandy, J.,Mikolajek, H.,Hough, M.A.,Wang, S.,Fairhead, M.,Williams, E.P.,Martinez, A.,Gil, C.,Ramos, S.,Aledavood, E.,Born, J.,Walsh, M.; Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with AI-designed inhibitors from the CIB-CSIC at room temperature; to be published,

Experimental method

X-RAY DIFFRACTION (1.53 Å)