6USY

COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936

Summary for 6USY

• Entry DOI: 10.2210/pdb6usy/pdb
• Descriptor: Coagulation factor XIa light chain, 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid (3 entities in total)
• Functional Keywords: other, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 27313.03

Authors

Weihofen, W.A.,Clark, K.,Nunes, S. (deposition date: 2019-10-28, release date: 2020-07-01, Last modification date: 2023-10-11)

• 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 (1.26 Å)