3tfp

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Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162

Structural highlights

3tfp is a 1 chain structure with sequence from Staphylococcus aureus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Gene:crtM (Staphylococcus aureus)
Resources:FirstGlance, OCA, RCSB, PDBsum

Publication Abstract from PubMed

Double whammy! Small molecules that inhibit Staphylococcus aureus dehydrosqualene synthase (CrtM) or host squalene synthase (SQS) are of interest as novel, innate immunity-based therapeutics, blocking virulence or stimulating antibacterial neutrophil extracellular trap (NET) formation. The discovery of leads that do both represents a new route to treating staph infections.

Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.,Lin FY, Zhang Y, Hensler M, Liu YL, Chow OA, Zhu W, Wang K, Pang R, Thienphrapa W, Nizet V, Oldfield E ChemMedChem. 2012 Apr;7(4):561-4. doi: 10.1002/cmdc.201100589. Epub 2012 Jan 30. PMID:22290830[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Lin FY, Zhang Y, Hensler M, Liu YL, Chow OA, Zhu W, Wang K, Pang R, Thienphrapa W, Nizet V, Oldfield E. Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. ChemMedChem. 2012 Apr;7(4):561-4. doi: 10.1002/cmdc.201100589. Epub 2012 Jan 30. PMID:22290830 doi:10.1002/cmdc.201100589

3tfp, resolution 2.00Å

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