8BO4

COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1

This is a non-PDB format compatible entry.

Summary for 8BO4

• Entry DOI: 10.2210/pdb8bo4/pdb
• Descriptor: Coagulation factor XIa light chain, GLYCEROL, 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, ... (4 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: 27396.12

Authors

Schaefer, M.,Roehrig, S.,Ackerstaff, J.,Nunez, E.J.,Gericke, K.M.,Meier, K.,Tersteegen, A.,Stampfuss, J.,Ellerbrock, P.,Meibom, M.,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 (1.75 Å)