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Structure paper

TitleDual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Journal, issue, pagesChemmedchem, Vol. 7, Page 561-564, Year 2012
Publish dateAug 16, 2011 (structure data deposition date)
AuthorsLin, F.Y. / Zhang, Y. / Hensler, M. / Liu, Y.L. / Chow, O.A. / Zhu, W. / Wang, K. / Pang, R. / Thienphrapa, W. / Nizet, V. / Oldfield, E.
External linksChemmedchem / PubMed:22290830
MethodsX-ray diffraction
Resolution2 - 3 Å
Structure data

PDB-3tfn:
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1183
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-3tfp:
Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3tfv:
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-2CJ:
(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-03L:
2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid

ChemComp-2CN:
5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid

Source
  • staphylococcus aureus (bacteria)
KeywordsTRANSFERASE/transferase inhibitor / head to head prenyl synthase / TRANSFERASE-transferase inhibitor complex / Head-to-Head Prenyl Synthase

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