7MBO
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
Summary for 7MBO
Entry DOI | 10.2210/pdb7mbo/pdb |
Descriptor | Coagulation factor XIa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, Milvexian, ... (4 entities in total) |
Functional Keywords | hydrolase, serine protease, coagulation factor, syntethic inhibitor, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 27704.15 |
Authors | Sheriff, S. (deposition date: 2021-04-01, release date: 2021-09-15, Last modification date: 2023-10-18) |
Primary citation | Dilger, A.K.,Pabbisetty, K.B.,Corte, J.R.,De Lucca, I.,Fang, T.,Yang, W.,Pinto, D.J.P.,Wang, Y.,Zhu, Y.,Mathur, A.,Li, J.,Hou, X.,Smith, D.,Sun, D.,Zhang, H.,Krishnananthan, S.,Wu, D.R.,Myers Jr., J.E.,Sheriff, S.,Rossi, K.A.,Chacko, S.,Zheng, J.J.,Galella, M.A.,Ziemba, T.,Dierks, E.A.,Bozarth, J.M.,Wu, Y.,Crain, E.,Wong, P.C.,Luettgen, J.M.,Wexler, R.R.,Ewing, W.R. Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65:1770-1785, 2022 Cited by PubMed: 34494428DOI: 10.1021/acs.jmedchem.1c00613 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (0.924 Å) |
Structure validation
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