4CRC
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Summary for 4CRC
Entry DOI | 10.2210/pdb4crc/pdb |
Related | 4CR5 4CR9 4CRA 4CRB 4CRD 4CRE 4CRF 4CRG |
Descriptor | COAGULATION FACTOR XI, (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, SULFATE ION, ... (4 entities in total) |
Functional Keywords | hydrolase |
Biological source | HOMO SAPIENS (HUMAN) |
Cellular location | Secreted: P03951 |
Total number of polymer chains | 1 |
Total formula weight | 27403.42 |
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: 2015-08-19) |
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: 25629509DOI: 10.1371/JOURNAL.PONE.0113705 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
Download full validation report