6TS4

Coagulation factor XI protease domain in complex with active site inhibitor

Summary for 6TS4

• Entry DOI: 10.2210/pdb6ts4/pdb
• Related: 6T7P
• Descriptor: Coagulation factor XI, SULFATE ION, DIMETHYL SULFOXIDE, ... (6 entities in total)
• Functional Keywords: s1 protease, serine protease, structure-based drug design, active site directed inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 27902.75

Authors

Renatus, M.,Schiering, N. (deposition date: 2019-12-19, release date: 2020-07-08, Last modification date: 2020-08-26)

• Primary citation: Lorthiois, E.,Roache, J.,Barnes-Seeman, D.,Altmann, E.,Hassiepen, U.,Turner, G.,Duvadie, R.,Hornak, V.,Karki, R.G.,Schiering, N.,Weihofen, W.A.,Perruccio, F.,Calhoun, A.,Fazal, T.,Dedic, D.,Durand, C.,Dussauge, S.,Fettis, K.,Tritsch, F.,Dentel, C.,Druet, A.,Liu, D.,Kirman, L.,Lachal, J.,Namoto, K.,Bevan, D.,Mo, R.,Monnet, G.,Muller, L.,Zessis, R.,Huang, X.,Lindsley, L.,Currie, T.,Chiu, Y.H.,Fridrich, C.,Delgado, P.,Wang, S.,Hollis-Symynkywicz, M.,Berghausen, J.,Williams, E.,Liu, H.,Liang, G.,Kim, H.,Hoffmann, P.,Hein, A.,Ramage, P.,D'Arcy, A.,Harlfinger, S.,Renatus, M.,Ruedisser, S.,Feldman, D.,Elliott, J.,Sedrani, R.,Maibaum, J.,Adams, C.M.; Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.; J.Med.Chem., 63:8088-8113, 2020; PubMed: 32551603; DOI: 10.1021/acs.jmedchem.0c00279

Experimental method

X-RAY DIFFRACTION (1.17 Å)