2VA5
X-ray crystal structure of beta secretase complexed with compound 8c
Summary for 2VA5
Entry DOI | 10.2210/pdb2va5/pdb |
Related | 1FKN 1M4H 1PY1 1SGZ 1TQF 1UJJ 1UJK 1W50 1W51 1XN2 1XN3 1XS7 1YM2 1YM4 2B8L 2B8V 2VA6 2VA7 |
Descriptor | BETA-SECRETASE 1 ., IODIDE ION, 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, ... (4 entities in total) |
Functional Keywords | base, zymogen, protease, membrane, hydrolase, alzheimer's disease, alternative splicing, memapsin 2, glycoprotein, transmembrane, beta-secretase, aspartyl protease, aspartic protease |
Biological source | HOMO SAPIENS (HUMAN) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 50702.65 |
Authors | Edwards, P.D.,Albert, J.S.,Sylvester, M.,Aharony, D.,Andisik, D.,Callaghan, O.,Campbell, J.B.,Carr, R.A.,Chessari, G.,Congreve, M.,Frederickson, M.,Folmer, R.H.A.,Geschwindner, S.,Koether, G.,Kolmodin, K.,Krumrine, J.,Mauger, R.C.,Murray, C.W.,Olsson, L.,Patel, S.,Spear, N.,Tian, G. (deposition date: 2007-08-30, release date: 2007-11-13, Last modification date: 2023-12-13) |
Primary citation | Edwards, P.D.,Albert, J.S.,Sylvester, M.,Aharony, D.,Andisik, D.,Callaghan, O.,Campbell, J.B.,Carr, R.A.,Chessari, G.,Congreve, M.,Frederickson, M.,Folmer, R.H.,Geschwindner, S.,Koether, G.,Kolmodin, K.,Krumrine, J.,Mauger, R.C.,Murray, C.W.,Olsson, L.L.,Patel, S.,Spear, N.,Tian, G. Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50:5912-, 2007 Cited by PubMed: 17985862DOI: 10.1021/JM070829P PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.75 Å) |
Structure validation
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