4CRA

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

Summary for 4CRA

• Entry DOI: 10.2210/pdb4cra/pdb
• Related: 4CR5 4CR9 4CRB 4CRC 4CRD 4CRE 4CRF 4CRG
• Descriptor: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... (5 entities in total)
• Functional Keywords: hydrolase
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Secreted: P03951
• Total number of polymer chains: 1
• Total formula weight: 27732.29

Authors

Sandmark, J.,Oster, L.,Fjellstrom, O.,Akkaya, S.,Beisel, H.G.,Eriksson, P.O.,Erixon, K.,Gustafsson, D.,Jurva, U.,Kang, D.,Karis, D.,Knecht, W.,Nerme, V.,Nilsson, I.,Olsson, T.,Redzic, A.,Roth, R.,Tigerstrom, A. (deposition date: 2014-02-26, release date: 2015-02-11, Last modification date: 2018-04-04)

• Primary citation: Fjellstrom, O.,Akkaya, S.,Beisel, H.,Eriksson, P.,Erixon, K.,Gustafsson, D.,Jurva, U.,Kang, D.,Karis, D.,Knecht, W.,Nerme, V.,Nilsson, I.,Olsson, T.,Redzic, A.,Roth, R.,Sandmark, J.,Tigerstrom, A.,Oster, L.; Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.; Plos One, 10:13705-, 2015; PubMed: 25629509; DOI: 10.1371/JOURNAL.PONE.0113705

Experimental method

X-RAY DIFFRACTION (1.8 Å)