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TitleAlleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Journal, issue, pagesSci Rep, Vol. 13, Page 3189-3189, Year 2023
Publish dateAug 24, 2022 (structure data deposition date)
AuthorsGajendran, C. / Fukui, S. / Sadhu, N.M. / Zainuddin, M. / Rajagopal, S. / Gosu, R. / Gutch, S. / Sheehy, C.E. / Chu, L. / Vishwakarma, S. ...Gajendran, C. / Fukui, S. / Sadhu, N.M. / Zainuddin, M. / Rajagopal, S. / Gosu, R. / Gutch, S. / Sheehy, C.E. / Chu, L. / Vishwakarma, S. / Jeyaraj, D.A. / Hallur, G. / Wagner, D.D. / Sivanandhan, D.
External linksSci Rep / PubMed:36823444
MethodsX-ray diffraction
Resolution2.88 Å
Structure data

PDB-8god:
Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589
Method: X-RAY DIFFRACTION / Resolution: 2.88 Å

Chemicals

ChemComp-K3X:
[(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Small molecule inhibitor

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