6L3X
Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo
Summary for 6L3X
Entry DOI | 10.2210/pdb6l3x/pdb |
Descriptor | ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid (3 entities in total) |
Functional Keywords | s. aureus, caseinolytic protease p, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Staphylococcus aureus RF122 |
Total number of polymer chains | 14 |
Total formula weight | 279501.03 |
Authors | |
Primary citation | Ju, Y.,He, L.,Zhou, Y.,Yang, T.,Sun, K.,Song, R.,Yang, Y.,Li, C.,Sang, Z.,Bao, R.,Luo, Y. Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo. J.Med.Chem., 63:3104-3119, 2020 Cited by PubMed: 32031798DOI: 10.1021/acs.jmedchem.9b01746 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3054 Å) |
Structure validation
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