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TitleSynthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Journal, issue, pagesAcs Chem. Biol., Vol. 7, Page 160-165, Year 2012
Publish dateFeb 4, 2012 (structure data deposition date)
AuthorsJones, J.E. / Slack, J.L. / Fang, P. / Zhang, X. / Subramanian, V. / Causey, C.P. / Coonrod, S.A. / Guo, M. / Thompson, P.R.
External linksAcs Chem. Biol. / PubMed:22004374
MethodsX-ray diffraction
Resolution2.98 Å
Structure data

PDB-4dkt:
Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / alpha/beta-propeller / immunoglobulin-like / arginine citrullination / post-translational / HYDROLASE-HYDROLASE INHIBITOR complex

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