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-Structure paper
Title | Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease. |
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Journal, issue, pages | J. Med. Chem., Vol. 56, Page 534-546, Year 2013 |
Publish date | Dec 13, 2011 (structure data deposition date) |
![]() | Jacobs, J. / Grum-Tokars, V. / Zhou, Y. / Turlington, M. / Saldanha, S.A. / Chase, P. / Eggler, A. / Dawson, E.S. / Baez-Santos, Y.M. / Tomar, S. ...Jacobs, J. / Grum-Tokars, V. / Zhou, Y. / Turlington, M. / Saldanha, S.A. / Chase, P. / Eggler, A. / Dawson, E.S. / Baez-Santos, Y.M. / Tomar, S. / Mielech, A.M. / Baker, S.C. / Lindsley, C.W. / Hodder, P. / Mesecar, A. / Stauffer, S.R. |
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Methods | X-ray diffraction |
Resolution | 1.96 Å |
Structure data | ![]() PDB-3v3m: |
Chemicals | ![]() ChemComp-0EN: ![]() ChemComp-DMS: ![]() ChemComp-HOH: |
Source |
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![]() | HYDROLASE/HYDROLASE INHIBITOR / Chymotrypsin like fold / viral polypeptide protease / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex |