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TitleMechanisms by which small molecules of diverse chemotypes arrest Sec14 lipid transfer activity.
Journal, issue, pagesJ. Biol. Chem., Vol. 299, Page 102861-102861, Year 2023
Publish dateApr 3, 2022 (structure data deposition date)
AuthorsChen, X.R. / Poudel, L. / Hong, Z. / Johnen, P. / Katti, S. / Tripathi, A. / Nile, A.H. / Green, S.M. / Khan, D. / Schaaf, G. ...Chen, X.R. / Poudel, L. / Hong, Z. / Johnen, P. / Katti, S. / Tripathi, A. / Nile, A.H. / Green, S.M. / Khan, D. / Schaaf, G. / Bono, F. / Bankaitis, V.A. / Igumenova, T.I.
External linksJ. Biol. Chem. / PubMed:36603766
MethodsX-ray diffraction
Resolution1.764 - 2.7 Å
Structure data

PDB-7zg9:
Structure of yeast Sec14p with himbacine
Method: X-RAY DIFFRACTION / Resolution: 1.764 Å

PDB-7zga:
Structure of yeast Sec14p with ergoline
Method: X-RAY DIFFRACTION / Resolution: 2.302 Å

PDB-7zgb:
Structure of yeast Sec14p with NPPM112
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7zgc:
Structure of yeast Sec14p with NPPM481
Method: X-RAY DIFFRACTION / Resolution: 2.236 Å

PDB-7zgd:
Structure of yeast Sec14p with NPPM244
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

Chemicals

ChemComp-KO0:
Himbacine

ChemComp-HOH:
WATER

ChemComp-IUF:
~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate

ChemComp-IUJ:
4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

ChemComp-IUO:
(4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

ChemComp-PO4:
PHOSPHATE ION

ChemComp-IUC:
(4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Source
  • saccharomyces cerevisiae s288c (yeast)
KeywordsLIPID BINDING PROTEIN / Sec14p / himbacine / ergoline / NPPM112 / NPPM481 / NPPM244

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