2ntr: Difference between revisions

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[[Image:2ntr.jpg|left|200px]]
{{Seed}}
[[Image:2ntr.png|left|200px]]


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{{STRUCTURE_2ntr|  PDB=2ntr  |  SCENE=  }}  
{{STRUCTURE_2ntr|  PDB=2ntr  |  SCENE=  }}  


'''Crystal structure of Human Bace-1 bound to inhibitor'''
===Crystal structure of Human Bace-1 bound to inhibitor===




==Overview==
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BACE-1 is a flexible enzyme with experimentally determined motion in the flap region, the catalytic aspartates, and the 10s loop. Four in-house crystallographically determined complexes of tertiary carbinamine inhibitors revealed 10s loop motion in the S(3) pocket. These X-ray structures were used to correlate K(i) values, which span over five orders of magnitude, with the calculated interaction energy, using the Merck Molecular Force Field for a series of 19 tertiary carbinamine inhibitors.
The line below this paragraph, {{ABSTRACT_PUBMED_17112725}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 17112725 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17112725}}


==About this Structure==
==About this Structure==
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[[Category: Bace]]
[[Category: Bace]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
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