2ntr: Difference between revisions

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==Overview==

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.

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.

==About this Structure==

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[[Category: hydrolase]]

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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:10:56 2008''

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@@ Line 4: / Line 4: @@
 ==Overview==
-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.
+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.
 ==About this Structure==
@@ Line 20: / Line 20: @@
 [[Category: hydrolase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 12:14:58 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:10:56 2008''