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TitleDiscovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Journal, issue, pagesAcs Chem. Biol., Vol. 19, Page 2186-2197, Year 2024
Publish dateApr 1, 2024 (structure data deposition date)
AuthorsByrnes, L.J. / Choi, W.Y. / Balbo, P. / Banker, M.E. / Chang, J. / Chen, S. / Cheng, X. / Cong, Y. / Culp, J. / Di, H. ...Byrnes, L.J. / Choi, W.Y. / Balbo, P. / Banker, M.E. / Chang, J. / Chen, S. / Cheng, X. / Cong, Y. / Culp, J. / Di, H. / Griffor, M. / Hall, J. / Meng, X. / Morgan, B. / Mousseau, J.J. / Nicki, J. / O'Connell, T. / Ramsey, S. / Shaginian, A. / Shanker, S. / Trujillo, J. / Wan, J. / Vincent, F. / Wright, S.W. / Vajdos, F.
External linksAcs Chem. Biol. / PubMed:39316753
MethodsX-ray diffraction
Resolution1.64 - 2.003 Å
Structure data

PDB-9b96:
Crystal structure of the human PAD2 protein bound to inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-9b97:
Crystal structure of the human PAD2 protein bound to small molecule
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-9b98:
Crystal structure of the human PAD2 protein bound to small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.003 Å

Chemicals

PDB-1aja:
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY

ChemComp-ACT:
ACETATE ION

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

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

PDB-1ajb:
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY

PDB-1ajc:
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor / Complex

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