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-Structure paper
Title | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. |
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Journal, issue, pages | Bioorg. Med. Chem., Vol. 22, Page 6256-6269, Year 2014 |
Publish date | May 10, 2013 (structure data deposition date) |
![]() | Doig, P. / Boriack-Sjodin, P.A. / Dumas, J. / Hu, J. / Itoh, K. / Johnson, K. / Kazmirski, S. / Kinoshita, T. / Kuroda, S. / Sato, T.O. ...Doig, P. / Boriack-Sjodin, P.A. / Dumas, J. / Hu, J. / Itoh, K. / Johnson, K. / Kazmirski, S. / Kinoshita, T. / Kuroda, S. / Sato, T.O. / Sugimoto, K. / Tohyama, K. / Aoi, H. / Wakamatsu, K. / Wang, H. |
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Methods | X-ray diffraction |
Resolution | 1.9 - 2.31 Å |
Structure data | ![]() PDB-4knr: ![]() PDB-4knx: ![]() PDB-4kpx: ![]() PDB-4kpz: ![]() PDB-4kql: |
Chemicals | ![]() ChemComp-1S8: ![]() ChemComp-PG4: ![]() ChemComp-MG: ![]() ChemComp-SO4: ![]() ChemComp-HOH: ![]() ChemComp-1S9: ![]() ChemComp-1SE: ![]() ChemComp-1SF: ![]() ChemComp-1SG: |
Source |
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![]() | TRANSFERASE/TRANSFERASE INHIBITOR / beta helix / cell wall biosynthesis / inhibitor bound / TRANSFERASE-TRANSFERASE INHIBITOR complex / small molecule inhibitor / TRANSFERASE / small molecule fragment |