5QTT
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
Summary for 5QTT
Entry DOI | 10.2210/pdb5qtt/pdb |
Group deposition | FXIa (G_1002107) |
Descriptor | Coagulation factor XI, methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate, SULFATE ION, ... (5 entities in total) |
Functional Keywords | hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 28985.20 |
Authors | Sheriff, S. (deposition date: 2019-10-16, release date: 2019-12-25, Last modification date: 2021-05-12) |
Primary citation | Corte, J.R.,Pinto, D.J.P.,Fang, T.,Osuna, H.,Yang, W.,Wang, Y.,Lai, A.,Clark, C.,Sun, J.H.,Rampulla, R.A.,Mathur, A.,Kaspady, M.,Neithnadka, P.R.,Li, Y.X.,Rossi, K.A.,Myers, J.E.,Sheriff, S.,Lou, Z.,Harper, T.W.,Huang, C.S.,Zheng, J.J.,Bozarth, J.M.,Wu, Y.,Wong, P.C.,Crain, E.,Seiffert, D.A.,Luettgen, J.M.,Lam, P.,Wexler, R.R.,Ewing, W.R. Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63:784-803, 2019 Cited by PubMed: 31833761DOI: 10.1021/acs.jmedchem.9b01768 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.23 Å) |
Structure validation
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