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TitleInhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca 2+ dependent allosteric binding site.
Journal, issue, pagesNat Commun, Vol. 16, Page 4579-4579, Year 2025
Publish dateSep 19, 2024 (structure data deposition date)
AuthorsDakin, L.A. / Xing, L. / Hall, J. / Ding, W. / Vajdos, F.F. / Pelker, J.W. / Ramsey, S. / Balbo, P. / Sahasrabudhe, P.V. / Banker, M.E. ...Dakin, L.A. / Xing, L. / Hall, J. / Ding, W. / Vajdos, F.F. / Pelker, J.W. / Ramsey, S. / Balbo, P. / Sahasrabudhe, P.V. / Banker, M.E. / Choi, W.Y. / Wright, S.W. / Chang, J.S. / Curto, J.M. / Davoren, J.E. / Drozda, S.E. / Fennell, K.F. / Futatsugi, K. / Kortum, S. / Lee, K.L. / Liu, S. / Lovering, F. / Nicki, J.A. / Trujillo, J.I. / Vincent, F. / Schnute, M.E.
External linksNat Commun / PubMed:40379660
MethodsX-ray diffraction
Resolution1.77 - 2.44 Å
Structure data

PDB-9dol:
Potent inhibition of the protein arginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-9dop:
Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-9dpz:
Potent inhibition of the protein arginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals

ChemComp-CA:
Unknown entry

PDB-1a8o:
HIV CAPSID C-TERMINAL DOMAIN

ChemComp-HOH:
WATER

PDB-1bzk:
STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH EAST ASIAN OVALOCYTOSIS.

PDB-1a9p:
BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH 9-DEAZAINOSINE AND PHOSPHATE

ChemComp-3YZ:
[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone

Source
  • homo sapiens (human)
KeywordsHYDROLASE / peptylarginine deiminase / inhibitor / allosteric / HYDROLASE/HYDROLASE INHIBITOR / peptyl arginine deiminase / HYDROLASE-HYDROLASE INHIBITOR complex

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