9DU4

SARS-CoV-2 Mpro in complex with compound 3

This is a non-PDB format compatible entry.

Summary for 9DU4

• Entry DOI: 10.2210/pdb9du4/pdb
• Related: 9DTZ
• Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(2R)-1-hydroxy-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (3 entities in total)
• Functional Keywords: sars-cov-2 mpro hydrolase, compound 3, corona viru, s aldehyde and nitrile based inhibitors, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 70958.84

Authors

Bigelow, L.,Tang, H.,Boguslaw, N.,Duda, D.M. (deposition date: 2024-10-02, release date: 2025-04-30)

• Primary citation: Padmanabha Das, K.M.,Chen, J.,Charifson, P.S.,Green, J.,Tang, H.,Panchal, S.,Pu, F.,Korepanova, A.,Afanador, G.,Stojkovic, V.,Nocek, B.,Bigelow, L.,Stubbs, S.,Davey, R.A.,DeGoey, D.A.,Arthanari, H.,Namchuk, M.N.; Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased Inhibitors Displays Positive Cooperativity and a Mixture of Covalent and Non-covalent Binding.; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.42 Å)