3UDQ
Crystal Structure of BACE with Compound 13
Summary for 3UDQ
Entry DOI | 10.2210/pdb3udq/pdb |
Related | 3UDH 3UDJ 3UDK 3UDM 3UDN 3UDP 3UDR 3UDY |
Descriptor | Beta-secretase 1, (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate (3 entities in total) |
Functional Keywords | hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 45648.09 |
Authors | Efremov, I.V.,Vajdos, F.F.,Borzilleri, K.,Capetta, S.,Dorff, P.,Dutra, J.,Mansour, M.,Oborski, C.,O'Connell, T.,O'Sullivan, T.J.,Pandit, J.,Wang, H.,Withka, J. (deposition date: 2011-10-28, release date: 2012-04-18, Last modification date: 2018-04-04) |
Primary citation | Efremov, I.V.,Vajdos, F.F.,Borzilleri, K.A.,Capetta, S.,Chen, H.,Dorff, P.H.,Dutra, J.K.,Goldstein, S.W.,Mansour, M.,McColl, A.,Noell, S.,Oborski, C.E.,O'Connell, T.N.,O'Sullivan, T.J.,Pandit, J.,Wang, H.,Wei, B.,Withka, J.M. Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55:9069-9088, 2012 Cited by PubMed: 22468999DOI: 10.1021/jm201715d PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.73 Å) |
Structure validation
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