4LXB

Crystal Structure Analysis of thrombin in complex with compound D58

Summary for 4LXB

• Entry DOI: 10.2210/pdb4lxb/pdb
• Related: 4LOY
• Descriptor: Prothrombin, Thrombin light chain, Hirudin variant-1, Prothrombin, ... (7 entities in total)
• Functional Keywords: serine proteases, antithrombotic agents, dual thrombin/factor xa inhi, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 3
• Total formula weight: 36455.75

Authors

Stehlin-Gaon, C.,Bocskei, Z. (deposition date: 2013-07-29, release date: 2014-06-11, Last modification date: 2020-07-29)

• Primary citation: Meneyrol, J.,Follmann, M.,Lassalle, G.,Wehner, V.,Barre, G.,Rousseaux, T.,Altenburger, J.M.,Petit, F.,Bocskei, Z.,Schreuder, H.,Alet, N.,Herault, J.P.,Millet, L.,Dol, F.,Florian, P.,Schaeffer, P.,Sadoun, F.,Klieber, S.,Briot, C.,Bono, F.,Herbert, J.M.; 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.; J.Med.Chem., 56:9441-9456, 2013; PubMed: 24175584; DOI: 10.1021/jm4005835

Experimental method

X-RAY DIFFRACTION (1.61 Å)