PDB ID: 3UDP
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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09D | (4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate | PoSSuM | |||
EDO | 1,2-ethanediol | PoSSuM | |||
PEG | Di(hydroxyethyl)ether | PoSSuM | |||
ZN | Zinc ion | PoSSuM |
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Download interaction data: 3UDP
Structure summary
Code : | 3UDP PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/HYDROLASE INHIBITOR | ||||||||||||
Title : | Crystal Structure of BACE with Compound 12 | ||||||||||||
Release Data : | 2012-04-18 | ||||||||||||
Compound : |
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Source : |
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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. | ||||||||||||
Keywords : | HYDROLASE-HYDROLASE INHIBITOR complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.95 Å ) | ||||||||||||
Citation : |
Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
Efremov, I.V.,Vajdos, F.F.,Borzilleri, K.A.
et al.
PubMed: 22468999 High yield expression of human BACE constructs in Escherichia coli for refolding, purification, and high resolution diffracting crystal forms.
Tomasselli, A.G.,Paddock, D.J.,Emmons, T.L.
et al.
PubMed: 18289105 |
Reaction
Chain : | A | ||||||||
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UniProt : | P56817 (BACE1_HUMAN) | ||||||||
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