+Search query
-Structure paper
Title | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. |
---|---|
Journal, issue, pages | Acs Bio Med Chem Au, Vol. 3, Page 507-515, Year 2023 |
Publish date | Aug 29, 2023 (structure data deposition date) |
![]() | Michino, M. / Beautrait, A. / Boyles, N.A. / Nadupalli, A. / Dementiev, A. / Sun, S. / Ginn, J. / Baxt, L. / Suto, R. / Bryk, R. ...Michino, M. / Beautrait, A. / Boyles, N.A. / Nadupalli, A. / Dementiev, A. / Sun, S. / Ginn, J. / Baxt, L. / Suto, R. / Bryk, R. / Jerome, S.V. / Huggins, D.J. / Vendome, J. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 1.69 Å |
Structure data | ![]() PDB-8u0q: |
Chemicals | ![]() ChemComp-FAD: ![]() ChemComp-U4I: ![]() ChemComp-GOL: ![]() ChemComp-HOH: |
Source |
|
![]() | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / virtual screening / tuberculosis / mycobacteria / lipoamide dehydrogenase / inhibitor / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex |