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5QTY

FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate

Summary for 5QTY
Entry DOI10.2210/pdb5qty/pdb
Group depositionFXIa (G_1002108)
DescriptorCoagulation factor XI, ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate, SULFATE ION, ... (5 entities in total)
Functional Keywordshydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight29244.46
Authors
Sheriff, S. (deposition date: 2019-11-13, release date: 2020-01-29, Last modification date: 2021-05-12)
Primary citationFang, T.,Corte, J.R.,Gilligan, P.J.,Jeon, Y.,Osuna, H.,Rossi, K.A.,Myers Jr., J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Harper, T.W.,Bozarth, J.M.,Wu, Y.,Luettgen, J.M.,Seiffert, D.A.,Wexler, R.R.,Lam, P.Y.S.
Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30:126949-126949, 2020
Cited by
PubMed: 31932224
DOI: 10.1016/j.bmcl.2020.126949
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.89 Å)
Structure validation

217705

數據於2024-03-27公開中

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