5WKL
1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17
Summary for 5WKL
Entry DOI | 10.2210/pdb5wkl/pdb |
Descriptor | Orf1a protein, (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ... (4 entities in total) |
Functional Keywords | protease, protease inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Middle East respiratory syndrome-related coronavirus |
Total number of polymer chains | 1 |
Total formula weight | 35651.84 |
Authors | Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Kim, Y.,Rathnayake, A.D.,Chang, K.O.,Groutas, W.C. (deposition date: 2017-07-25, release date: 2018-04-04, Last modification date: 2023-10-04) |
Primary citation | Galasiti Kankanamalage, A.C.,Kim, Y.,Damalanka, V.C.,Rathnayake, A.D.,Fehr, A.R.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Lushington, G.H.,Perlman, S.,Chang, K.O.,Groutas, W.C. Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150:334-346, 2018 Cited by PubMed: 29544147DOI: 10.1016/j.ejmech.2018.03.004 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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