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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 27, 2015 (structure data deposition date)
AuthorsBauman, J.D. / Harrison, J.J.E.K. / Arnold, E.
External linksIucrj / Search PubMed
MethodsX-ray diffraction
Resolution1.45 - 2.1 Å
Structure data

PDB-5cw1:
Proteinase K complexed with 4-iodopyrazole
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-5cym:
HIV-1 reverse transcriptase complexed with 4-iodopyrazole
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-PYZ:
4-IODOPYRAZOLE

ChemComp-IOD:
IODIDE 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-EDO:
1,2-ETHANEDIOL

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

Source
  • engyodontium album (fungus)
  • human immunodeficiency virus type 1 group m subtype b (isolate bh10)
KeywordsHYDROLASE / 4-iodopyrazole / phasing / proteinase K / fragment screening / TRANSFERASE / 4-bromopyrazole / influenza endonuclease

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