2vj7
From Proteopedia
(New page: 200px<br /><applet load="2vj7" size="350" color="white" frame="true" align="right" spinBox="true" caption="2vj7, resolution 1.60Å" /> '''HUMAN BACE-1 IN COMP...) |
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==Overview== | ==Overview== | ||
| - | This paper describes the discovery of non-peptidic, potent, and selective | + | 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== | ==About this Structure== | ||
| - | 2VJ7 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=VG6:'>VG6</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] Known structural/functional Site: <scene name='pdbsite=AC1:Vg6 Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VJ7 OCA]. | + | 2VJ7 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=VG6:'>VG6</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] Known structural/functional Site: <scene name='pdbsite=AC1:Vg6+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VJ7 OCA]. |
==Reference== | ==Reference== | ||
| - | BACE-1 inhibitors part 2: | + | 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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18166458 18166458] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Brien, A | + | [[Category: Brien, A O.]] |
[[Category: Clarke, B.]] | [[Category: Clarke, B.]] | ||
[[Category: Demont, E.]] | [[Category: Demont, E.]] | ||
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[[Category: Theobald, P.]] | [[Category: Theobald, P.]] | ||
[[Category: Vesey, D.]] | [[Category: Vesey, D.]] | ||
| - | [[Category: Walter, D | + | [[Category: Walter, D S.]] |
[[Category: Ward, J.]] | [[Category: Ward, J.]] | ||
[[Category: Wayne, G.]] | [[Category: Wayne, G.]] | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:56:19 2008'' |
Revision as of 16:56, 21 February 2008
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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 with as ligand. Active as Memapsin 2, with EC number 3.4.23.46 Known structural/functional Site: . 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
Page seeded by OCA on Thu Feb 21 18:56:19 2008
Categories: Homo sapiens | Memapsin 2 | Single protein | Brien, A O. | 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. | Redshaw, S. | Riddell, D. | Rowland, P. | Smith, K. | Soleil, V. | Stanway, S. | Stemp, G. | Sweitzer, S. | Theobald, P. | Vesey, D. | Walter, D S. | Ward, J. | Wayne, G. | VG6 | Alternative splicing | Asp-2 | Aspartyl protease | Bace-1 | Beta-secretase | Beta-site app cleaving enzyme | Glycoprotein | Hydrolase | Memapsin-2 | Membrane | Protease | Transmembrane | Zymogen
