Crystal structure of human BACE2 in complex with a hydroxyethylamine transition-state inhibitor

Journal of Molecular Biology

Volumn 355, Issue 2, 2006, Pages 249-261

  Ostermann, Nils ^a   Eder, Jörg ^a   Eidhoff, Ulf ^a   Zink, Florence ^a   Hassiepen, Ulrich ^a   Worpenberg, Susanne ^a   Maibaum, Jürgen ^a   Simic, Oliver ^a   Hommel, Ulrich ^a   Gerhartz, Bernd ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

Activation; Aspartic protease; BACE2; Crystal structure; Refolding

Indexed keywords

ASPARTIC PROTEINASE; BETA SECRETASE; BETA SECRETASE 2; ENZYME PRECURSOR; ETHYLAMINE; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; ARTICLE; CARBOXY TERMINAL SEQUENCE; CATALYSIS; CELL INCLUSION; CRYSTAL STRUCTURE; ENZYME ACTIVATION; ENZYME ACTIVE SITE; ENZYME INACTIVATION; ENZYME STRUCTURE; ENZYME SUBSTRATE; ESCHERICHIA COLI; PH MEASUREMENT; PHASE TRANSITION; PRIORITY JOURNAL; PROTEIN EXPRESSION; PROTEIN FOLDING; PROTEIN VARIANT; STRUCTURE ANALYSIS;

ESCHERICHIA COLI;

EID: 28844509722     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2005.10.027     Document Type: Article

References (37)

1. B.M. Dunn Structure and mechanism of the pepsin-like family of aspartic peptidases Chem. Rev. 102 2002 4431 4458
2. R. Vassar, B.D. Bennett, S. Babu-Khan, S. Kahn, E.A. Mendiaz, and P. Denis Beta-secretase cleavage of Alzheimer's amyloid precursor protein by the transmembrane aspartic protease BACE Science 286 1999 735 741
3. R. Yan, M.J. Bienkowski, M.E. Shuck, H. Miao, M.C. Tory, and A.M. Pauley Membrane-anchored aspartyl protease with Alzheimer's disease beta-secretase activity Nature 402 1999 533 537
4. F. Acquati, M. Accarino, C. Nucci, P. Fumagalli, L. Jovine, S. Ottolenghi, and R. Taramelli The gene encoding DRAP (BACE2), a glycosylated transmembrane protein of the aspartic protease family, maps to the down critical region FEBS Letters 468 2000 59 64
5. B.D. Bennett, S. Babu-Khan, R. Loeloff, J.C. Louis, E. Curran, M. Citron, and R. Vassar Expression analysis of BACE2 in brain and peripheral tissues J. Biol. Chem. 275 2000 20647 20651
6. I. Hussain, D.J. Powell, D.R. Howlett, G.A. Chapman, L. Gilmour, and P.R. Murdock ASP1 (BACE2) cleaves the amyloid precursor protein at the beta-secretase site Mol. Cell Neurosci. 16 2000 609 619
7. X. Sun, Y. Wang, H. Qing, M.A. Christensen, Y. Liu, and W. Zhou Distinct transcriptional regulation and function of the human BACE2 and BACE1 genes FASEB J. 19 2005 739 749
8. L. Barbiero, L. Benussi, R. Ghidoni, A. Alberici, C. Russo, and G. Schettini BACE-2 is overexpressed in Down's syndrome Expt. Neurol. 182 2003 335 345
9. K. Kondoh, N. Tsuji, C. Kamagata, M. Sasaki, D. Kobayashi, A. Yagihashi, and N. Watanabe A novel aspartic protease gene, ALP56, is up-regulated in human breast cancer independently from the cathepsin D gene Breast Cancer Res.Treat. 78 2003 37 44
10. N. Tsuji, K. Kondoh, M. Furuya, D. Kobayashi, A. Yagihashi, and Y. Inoue A novel aspartate protease gene, ALP56, is related to morphological features of colorectal adenomas Int. J. Colorectal Dis. 19 2004 43 48
11. G. Vattemi, W.K. Engel, J. McFerrin, L. Pastorino, J.D. Buxbaum, and V. Askanas BACE1 and BACE2 in pathologic and normal human muscle Expt. Neurol. 179 2003 150 158
12. A.R. Khan, M.M. Cherney, N.I. Tarasova, and M.N. James Structural characterization of activation intermediate 2′ on the pathway to human gastricsin Nature Struct. Biol. 4 1997 1010 1015
13. A.Y. Lee, S.V. Gulnik, and J.W. Erickson Conformational switching in an aspartic proteinase Nature Struct. Biol. 5 1998 866 871
14. N. Ostermann, B. Gerhartz, S. Worpenberg, J. Trappe, and J. Eder Crystal structure of an activation intermediate of cathepsin E J. Mol. Biol. 342 2004 889 899
15. P.N. Bryan Prodomains and protein folding catalysis Chem. Rev. 102 2002 4805 4816
16. X.P. Shi, E. Chen, K.C. Yin, S. Na, V.M. Garsky, and M.T. Lai The pro domain of beta-secretase does not confer strict zymogen-like properties but does assist proper folding of the protease domain J. Biol. Chem. 276 2001 10366 10373
17. L. Hong, G. Koelsch, X. Lin, S. Wu, S. Terzyan, and A.K. Ghosh Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor Science 290 2000 150 153
18. L. Hong, R.T. Turner III, G. Koelsch, D. Shin, A.K. Ghosh, and J. Tang Crystal structure of memapsin 2 (beta-secretase) in complex with an inhibitor OM00-3 Biochemistry 41 2002 10963 10967
19. L. Hong, and J. Tang Flap position of free memapsin 2 (beta-secretase), a model for flap opening in aspartic protease catalysis Biochemistry 43 2004 4689 4695
20. S. Patel, L. Vuillard, A. Cleasby, C.W. Murray, and J. Yon Apo and inhibitor complex structures of BACE (beta-secretase) J. Mol. Biol. 343 2004 407 416
21. F. Gruninger-Leitch, D. Schlatter, E. Kung, P. Nelbock, and H. Dobeli Substrate and inhibitor profile of BACE (beta-secretase) and comparison with other mammalian aspartic proteases J. Biol. Chem. 277 2002 4687 4693
22. E.T. Baldwin, T.N. Bhat, S. Gulnik, M.V. Hosur, R.C. Sowder, and R.E. Cachau Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design Proc. Natl Acad. Sci. USA 90 1993 6796 6800
23. P. Metcalf, and M. Fusek Two crystal structures for cathepsin D: the lysosomal targeting signal and active site EMBO J. 12 1993 1293 1302
24. C. Oefner, A. Binggeli, V. Breu, D. Bur, J.P. Clozel, and A. D'Arcy Renin inhibition by substituted piperidines: a novel paradigm for the inhibition of monomeric aspartic proteinases? Chem. Biol. 6 1999 127 131
25. S.K. Sharma, D.B. Evans, C.S. Tomich, J.C. Cornette, and R.G. Ulrich Folding and activation of recombinant human prorenin Biotechnol. Appl. Biochem. 9 1987 181 193
26. I. Hussain, G. Christie, K. Schneider, S. Moore, and C. Dingwall Prodomain processing of Asp1 (BACE2) is autocatalytic J. Biol. Chem. 276 2001 23322 23328
27. Y.T. Kim, D. Downs, S. Wu, A. Dashti, Y. Pan, and P. Zhai Enzymic properties of recombinant BACE2 Eur. J. Biochem. 269 2002 5668 5677
28. S.A. Moore, A.R. Sielecki, M.M. Chernaia, N.I. Tarasova, and M.N. James Crystal and molecular structures of human progastricsin at 1.62 Å resolution J. Mol. Biol. 247 1995 466 485
29. S.J. Stachel, C.A. Coburn, T.G. Steele, K.G. Jones, E.F. Loutzenhiser, and A.R. Gregro Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1) J. Med. Chem. 47 2004 6447 6450
30. A.K. Ghosh, G. Bilcer, C. Harwood, R. Kawahama, D. Shin, and K.A. Hussain Structure-based design: potent inhibitors of human brain memapsin 2 (β-secretase) J. Med. Chem. 44 2001 2865 2868
31. J. Rahuel, V. Rasetti, J. Maibaum, H. Rueger, R. Goschke, and N.C. Cohen Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin Chem. Biol. 7 2000 493 504
32. Z. Otwinowski, and H. Mizuno Processing of X-ray diffraction data collected in oscillation mode Methods Enzymol. 276 1997 307 327
33. A. Vagin, and A. Teplyakov MOLREP: an automated program for molecular replacement J. Appl. Crystallog. 30 1997 1022 1025
34. A.T. Brünger, P.D. Adams, G.M. Clore, W.L. DeLano, P. Gros, and R.W. Grosse-Kunstleve Crystallography & NMR system: a new software suite for macromolecular structure determination Acta Crystallog. sect. D 54 1998 905 921
35. T.A. Jones, J.Y. Zou, S.W. Cowan, and M. Kjeldgaard Improved methods for building protein models in electron density maps and the location of errors in these models Acta Crystallog. sect. A 47 1991 110 119
36. R.A. Engh, and R. Huber Accurate bond and angle parameters for X-ray protein structure refinement Acta Crystallog. sect. A 47 1991 392 400
37. R.A. Laskowski, M.W. MacArthur, D.S. Moss, and J.M. Thornton PROCHECK: a program to check the stereochemical quality of protein structures J. Appl. Crystallog. 26 1993 238 291