4CRB

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

Summary for 4CRB

Entry DOI	10.2210/pdb4crb/pdb
Related	4CR5 4CR9 4CRA 4CRC 4CRD 4CRE 4CRF 4CRG
Descriptor	COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-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	27878.80
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)
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 Cited by PubMed: 25629509 DOI: 10.1371/JOURNAL.PONE.0113705 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation