2vj7

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|PDB= 2vj7 |SIZE=350|CAPTION= <scene name='initialview01'>2vj7</scene>, resolution 1.60&Aring;
|PDB= 2vj7 |SIZE=350|CAPTION= <scene name='initialview01'>2vj7</scene>, resolution 1.60&Aring;
|SITE= <scene name='pdbsite=AC1:Vg6+Binding+Site+For+Chain+A'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:Vg6+Binding+Site+For+Chain+A'>AC1</scene>
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|LIGAND= <scene name='pdbligand=VG6:'>VG6</scene>
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|LIGAND= <scene name='pdbligand=VG6:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE'>VG6</scene>
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|ACTIVITY= [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]
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|ACTIVITY= <span class='plainlinks'>[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] </span>
|GENE=
|GENE=
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|DOMAIN=
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|RELATEDENTRY=[[1tqf|1TQF]], [[1xn3|1XN3]], [[1m4h|1M4H]], [[1xn2|1XN2]], [[2viy|2VIY]], [[2vie|2VIE]], [[2va6|2VA6]], [[2viz|2VIZ]], [[2b8l|2B8L]], [[1ym4|1YM4]], [[2va5|2VA5]], [[1sgz|1SGZ]], [[2b8v|2B8V]], [[1ujk|1UJK]], [[1fkn|1FKN]], [[1xs7|1XS7]], [[2vij|2VIJ]], [[2va7|2VA7]], [[1ym2|1YM2]], [[1py1|1PY1]], [[1w50|1W50]], [[1ujj|1UJJ]], [[1w51|1W51]], [[2vj6|2VJ6]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vj7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vj7 OCA], [http://www.ebi.ac.uk/pdbsum/2vj7 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2vj7 RCSB]</span>
}}
}}
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[[Category: Ward, J.]]
[[Category: Ward, J.]]
[[Category: Wayne, G.]]
[[Category: Wayne, G.]]
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[[Category: VG6]]
 
[[Category: alternative splicing]]
[[Category: alternative splicing]]
[[Category: asp-2]]
[[Category: asp-2]]
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[[Category: zymogen]]
[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:47:13 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:13:04 2008''

Revision as of 02:13, 31 March 2008

Image:2vj7.jpg


PDB ID 2vj7

Drag the structure with the mouse to rotate
, resolution 1.60Å
Sites:
Ligands:
Activity: Memapsin 2, with EC number 3.4.23.46
Related: 1TQF, 1XN3, 1M4H, 1XN2, 2VIY, 2VIE, 2VA6, 2VIZ, 2B8L, 1YM4, 2VA5, 1SGZ, 2B8V, 1UJK, 1FKN, 1XS7, 2VIJ, 2VA7, 1YM2, 1PY1, 1W50, 1UJJ, 1W51, 2VJ6


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



HUMAN BACE-1 IN COMPLEX WITH 3-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL) METHYL)AMINO)PROPYL)-5-(2-OXO-1-PYRROLIDINYL)BENZAMIDE


Overview

This paper describes the discovery of non-peptidic, potent, and selective hydroxy ethylamine (HEA) inhibitors of BACE-1 by replacement of the prime side of a lead di-amide 2. Inhibitors with nanosmolar potency and high selectivity were identified. Depending on the nature of the P(1)(') and P(2)(') substituents, two different binding modes were observed in X-ray co-crystal structures.

About this Structure

2VJ7 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

BACE-1 inhibitors part 2: identification of hydroxy ethylamines (HEAs) with reduced peptidic character., Clarke B, Demont E, Dingwall C, Dunsdon R, Faller A, Hawkins J, Hussain I, MacPherson D, Maile G, Matico R, Milner P, Mosley J, Naylor A, O'Brien A, Redshaw S, Riddell D, Rowland P, Soleil V, Smith KJ, Stanway S, Stemp G, Sweitzer S, Theobald P, Vesey D, Walter DS, Ward J, Wayne G, Bioorg Med Chem Lett. 2008 Feb 1;18(3):1017-21. Epub 2007 Dec 15. PMID:18166458

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