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Structure paper

TitleAtropisomer Control in Macrocyclic Factor VIIa Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 4007-4018, Year 2016
Publish dateFeb 11, 2016 (structure data deposition date)
AuthorsGlunz, P.W. / Mueller, L. / Cheney, D.L. / Ladziata, V. / Zou, Y. / Wurtz, N.R. / Wei, A. / Wong, P.C. / Wexler, R.R. / Priestley, E.S.
External linksJ. Med. Chem. / PubMed:27015008
MethodsX-ray diffraction
Resolution2.06 Å
Structure data

PDB-5i46:
Factor VIIA in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-67O:
(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase inhibitor / glycoprotein / hydrolase / serine protease / plasma / blood coagulation factor / protein inhibitor complex / calcium-binding / Hydrolase-Hydrolase inhibitor complex

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