1tqf

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{{STRUCTURE_1tqf| PDB=1tqf | SCENE= }}
{{STRUCTURE_1tqf| PDB=1tqf | SCENE= }}
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'''Crystal structure of human Beta secretase complexed with inhibitor'''
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===Crystal structure of human Beta secretase complexed with inhibitor===
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==Overview==
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A small molecule nonpeptide inhibitor of beta-secretase has been developed, and its binding has been defined through crystallographic determination of the enzyme-inhibitor complex. The molecule is shown to bind to the catalytic aspartate residues in an unprecedented manner in the field of aspartyl protease inhibition. Additionally, the complex reveals a heretofore unknown S(3) subpocket that is created by the inhibitor. This structure has served an important role in the design of newer beta-secretase inhibitors.
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{{ABSTRACT_PUBMED_15566281}}
==About this Structure==
==About this Structure==
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[[Category: Bace]]
[[Category: Bace]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 10:15:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 14:18:40 2008''

Revision as of 11:18, 28 July 2008

Image:1tqf.png


PDB ID 1tqf

Drag the structure with the mouse to rotate
1tqf, resolution 1.80Å ()
Ligands:
Gene: BACE1, BACE (Homo sapiens)
Activity: Memapsin 2, with EC number 3.4.23.46
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal structure of human Beta secretase complexed with inhibitor

Template:ABSTRACT PUBMED 15566281

About this Structure

1TQF is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases., Coburn CA, Stachel SJ, Li YM, Rush DM, Steele TG, Chen-Dodson E, Holloway MK, Xu M, Huang Q, Lai MT, DiMuzio J, Crouthamel MC, Shi XP, Sardana V, Chen Z, Munshi S, Kuo L, Makara GM, Annis DA, Tadikonda PK, Nash HM, Vacca JP, Wang T, J Med Chem. 2004 Dec 2;47(25):6117-9. PMID:15566281

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