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Structure paper

TitleRapid experimental SAD phasing and hot-spot identification with halogenated fragments.
Journal, issue, pagesIUCrJ, Vol. 3, Page 51-60, Year 2016
Publish dateJul 29, 2015 (structure data deposition date)
AuthorsBauman, J.D. / Harrison, J.J. / Arnold, E.
External linksIUCrJ / PubMed:26870381
MethodsX-ray diffraction
Resolution2.002 - 2.147 Å
Structure data

PDB-5cxr:
Influenza endonuclease complexed with 4-bromopyrazole
Method: X-RAY DIFFRACTION / Resolution: 2.002 Å

PDB-5cyq:
HIV-1 reverse transcriptase complexed with 4-bromopyrazole
Method: X-RAY DIFFRACTION / Resolution: 2.147 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BYZ:
4-bromo-1H-pyrazole

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-T27:
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile / medication, inhibitor*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-BR:
BROMIDE ION

Source
  • influenza a virus
  • human immunodeficiency virus type 1 group m subtype b (isolate bh10)
KeywordsTRANSCRIPTION / 4-bromopyrazole / phasing / influenza endonuclease / fragment screening / TRANSFERASE

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