7V16
Factor XIa in Complex with Compound 2j
Summary for 7V16
Entry DOI | 10.2210/pdb7v16/pdb |
Descriptor | Coagulation factor XIa light chain, CITRIC ACID, 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, ... (4 entities in total) |
Functional Keywords | hydrolase, serine protease, coagulation factor, blood clotting |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 27554.56 |
Authors | Shaffer, P.L.,Milligan, C.M. (deposition date: 2022-05-11, release date: 2022-08-03, Last modification date: 2023-10-18) |
Primary citation | Xu, G.,Liu, Z.,Wang, X.,Lu, T.,DesJarlais, R.L.,Thieu, T.,Zhang, J.,Devine, Z.H.,Du, F.,Li, Q.,Milligan, C.M.,Shaffer, P.,Cedervall, P.E.,Spurlino, J.C.,Stratton, C.F.,Pietrak, B.,Szewczuk, L.M.,Wong, V.,Steele, R.A.,Bruinzeel, W.,Chintala, M.,Silva, J.,Gaul, M.D.,Macielag, M.J.,Nargund, R. Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65:10419-10440, 2022 Cited by PubMed: 35862732DOI: 10.1021/acs.jmedchem.2c00442 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.505 Å) |
Structure validation
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