7HIA

Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0014722-001 (CHIKV_MacB-x2182)

This is a non-PDB format compatible entry.

Summary for 7HIA

• Entry DOI: 10.2210/pdb7hia/pdb
• Group deposition: Group deposition of Chikungunya virus nsP3 macrodomain in complex with SARS-CoV-2 NSP3 Macrodomain inhibitors (G_1002310)
• Descriptor: Non-structural protein 3, DIMETHYL SULFOXIDE, (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, ... (5 entities in total)
• Functional Keywords: diamond light source, i04-1, readdi, asap, chikungunya virus, crystallographic fragment screening, pandda, xchemexplorer, viral protein
• Biological source: Chikungunya virus
• Total number of polymer chains: 4
• Total formula weight: 73472.16

Authors

Aschenbrenner, J.C.,Fairhead, M.,Godoy, A.S.,Balcomb, B.H.,Capkin, E.,Chandran, A.V.,Golding, M.,Koekemoer, L.,Lithgo, R.M.,Marples, P.G.,Ni, X.,Thompson, W.,Tomlinson, C.W.E.,Wild, C.,Winokan, M.,Xavier, M.-A.E.,Fearon, D.,von Delft, F. (deposition date: 2024-10-02, release date: 2024-10-16)

• Primary citation: Aschenbrenner, J.C.,Fairhead, M.,Godoy, A.S.,Balcomb, B.H.,Capkin, E.,Chandran, A.V.,Golding, M.,Koekemoer, L.,Lithgo, R.M.,Marples, P.G.,Ni, X.,Thompson, W.,Tomlinson, C.W.E.,Wild, C.,Winokan, M.,Xavier, M.-A.E.,Fearon, D.,von Delft, F.; Group deposition of Chikungunya virus nsP3 macrodomain in complex with SARS-CoV-2 NSP3 Macrodomain inhibitors; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.54 Å)