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5QCK

FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Summary for 5QCK
Entry DOI10.2210/pdb5qck/pdb
Group depositionFXIa (G_1002041)
Related5QCL 5QCM 5QCN
DescriptorCoagulation factor XI, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, 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)
Cellular locationSecreted: P03951
Total number of polymer chains1
Total formula weight28425.58
Authors
Sheriff, S. (deposition date: 2017-08-10, release date: 2017-11-08, Last modification date: 2018-02-21)
Primary citationPinto, D.J.P.,Orwat, M.J.,Smith, L.M.,Quan, M.L.,Lam, P.Y.S.,Rossi, K.A.,Apedo, A.,Bozarth, J.M.,Wu, Y.,Zheng, J.J.,Xin, B.,Toussaint, N.,Stetsko, P.,Gudmundsson, O.,Maxwell, B.,Crain, E.J.,Wong, P.C.,Lou, Z.,Harper, T.W.,Chacko, S.A.,Myers, J.E.,Sheriff, S.,Zhang, H.,Hou, X.,Mathur, A.,Seiffert, D.A.,Wexler, R.R.,Luettgen, J.M.,Ewing, W.R.
Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60:9703-9723, 2017
Cited by
PubMed: 29077405
DOI: 10.1021/acs.jmedchem.7b01171
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.64 Å)
Structure validation

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