8BO7

COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34

This is a non-PDB format compatible entry.

Summary for 8BO7

• Entry DOI: 10.2210/pdb8bo7/pdb
• Descriptor: Coagulation factor XIa light chain, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... (5 entities in total)
• Functional Keywords: s1 protease, serine protease, structure-based drug design, active site directed inhibitor, hydrolase, blood clotting
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 27708.75

Authors

Schaefer, M.,Roehrig, S.,Ackerstaff, J.,Nunez, E.J.,Gericke, K.M.,Meier, K.,Tersteegen, A.,Stampfuss, J.,Ellerbrock, P.,Meibom, D.,Lang, D.,Heitmeier, S.,Hillisch, A. (deposition date: 2022-11-14, release date: 2023-09-13, Last modification date: 2023-09-20)

• Primary citation: Roehrig, S.,Ackerstaff, J.,Jimenez Nunez, E.,Teller, H.,Ellerbrock, P.,Meier, K.,Heitmeier, S.,Tersteegen, A.,Stampfuss, J.,Lang, D.,Schlemmer, K.H.,Schaefer, M.,Gericke, K.M.,Kinzel, T.,Meibom, D.,Schmidt, M.,Gerdes, C.,Follmann, M.,Hillisch, A.; Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.; J.Med.Chem., 66:12203-12224, 2023; PubMed: 37669040; DOI: 10.1021/acs.jmedchem.3c00795

Experimental method

X-RAY DIFFRACTION (1.25 Å)