View source for 2q11

[[Image:2q11.jpg|left|200px]]<br /><applet load="2q11" size="350" color="white" frame="true" align="right" spinBox="true" 
caption="2q11, resolution 2.4&Aring;" />
'''Structure of BACE complexed to compound 1'''<br />

==Overview==
A new aspartic protease inhibitory chemotype bearing a, 2-amino-3,4-dihydroquinazoline ring was identified by high-throughput, screening for the inhibition of BACE-1. X-ray crystallography revealed, that the exocyclic amino group participated in a hydrogen bonding array, with the two catalytic aspartic acids of BACE-1 (Asp(32), Asp(228))., BACE-1 inhibitory potency was increased (0.9 microM to 11 nM K(i)) by, substitution into the unoccupied S(1)' pocket.

==About this Structure==
2Q11 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=XX4:'>XX4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q11 OCA]. 

==Reference==
2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead., Baxter EW, Conway KA, Kennis L, Bischoff F, Mercken MH, Winter HL, Reynolds CH, Tounge BA, Luo C, Scott MK, Huang Y, Braeken M, Pieters SM, Berthelot DJ, Masure S, Bruinzeel WD, Jordan AD, Parker MH, Boyd RE, Qu J, Alexander RS, Brenneman DE, Reitz AB, J Med Chem. 2007 Sep 6;50(18):4261-4. Epub 2007 Aug 8. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17685503 17685503]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Single protein]]
[[Category: Sharff, A.J.]]
[[Category: XX4]]
[[Category: bace inhibitor complex]]
[[Category: hydrolase]]

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