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IF

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Structure paper

TitleStructure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
Journal, issue, pagesFEBS J., Vol. 285, Page 3286-3298, Year 2018
Publish dateNov 10, 2017 (structure data deposition date)
AuthorsCorti, A. / Milani, M. / Lecis, D. / Seneci, P. / de Rosa, M. / Mastrangelo, E. / Cossu, F.
External linksFEBS J. / PubMed:30055105
MethodsX-ray diffraction
Resolution2.2 - 2.7 Å
Structure data

PDB-6exw:
Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6ey2:
Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-C3K:
(3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-C3T:
(3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Zinc finger motif / smac-mimetic / protein-ligand complex / BIR domain

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