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Structure paper

TitleCo-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 72, Page 339-345, Year 2016
Publish dateJan 26, 2016 (structure data deposition date)
AuthorsLavogina, D. / Kestav, K. / Chaikuad, A. / Heroven, C. / Knapp, S. / Uri, A.
External linksActa Crystallogr. ,Sect. F / PubMed:27139824
MethodsX-ray diffraction
Resolution1.5 - 1.7 Å
Structure data

PDB-5htb:
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5htc:
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-MRD:
(4R)-2-METHYLPENTANE-2,4-DIOL / precipitant*YM

ChemComp-NA:
Unknown entry

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

ChemComp-6L5:
(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-66M:
(2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsTRANSFERASE / KINASE / INHIBITOR / ALLOSTERIC / STRUCTURAL GENOMICS CONSORTIUM (SGC) / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / bisubstrate inhibitor

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