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TitleBerotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 12453-12468, Year 2021
Publish dateJun 11, 2021 (structure data deposition date)
AuthorsKotian, P.L. / Wu, M. / Vadlakonda, S. / Chintareddy, V. / Lu, P. / Juarez, L. / Kellogg-Yelder, D. / Chen, X. / Muppa, S. / Chambers-Wilson, R. ...Kotian, P.L. / Wu, M. / Vadlakonda, S. / Chintareddy, V. / Lu, P. / Juarez, L. / Kellogg-Yelder, D. / Chen, X. / Muppa, S. / Chambers-Wilson, R. / Davis Parker, C. / Williams, J. / Polach, K.J. / Zhang, W. / Raman, K. / Babu, Y.S.
External linksJ. Med. Chem. / PubMed:34436898
MethodsX-ray diffraction
Resolution2.097 Å
Structure data

PDB-7n7x:
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
Method: X-RAY DIFFRACTION / Resolution: 2.097 Å

Chemicals

ChemComp-0RI:
Orladeyo / medication, inhibitor*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / kallikrein / blood / plasma / plasma kallikrein-mediated edema / acute hereditary angioedema / HAE / HMWK / hereditary angioedema / HAW / bradykinin / fletcher factor / kininogenin / serine protease / edema / orladeyo / HYDROLASE-HYDROLASE INHIBITOR complex

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