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Structure paper

TitleStructure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Journal, issue, pagesChemistryopen, Vol. 8, Page 476-482, Year 2019
Publish dateMay 17, 2018 (structure data deposition date)
AuthorsSorrentino, L. / Cossu, F. / Milani, M. / Malkoc, B. / Huang, W.C. / Tsay, S.C. / Ru Hwu, J. / Mastrangelo, E.
External linksChemistryopen / PubMed:31011505
MethodsX-ray diffraction
Resolution1.9 - 2.3 Å
Structure data

PDB-6gjw:
Structure of XIAP-BIR1 domain in complex with an NF023 analog
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6qci:
Structure of XIAP-BIR1 V86E mutant
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-F2H:
4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / BIR; NF-KB; XIAP; CANCER; APOPTOSIS; DOCKING; INHIBITOR

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