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2vj7
From Proteopedia
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|PDB= 2vj7 |SIZE=350|CAPTION= <scene name='initialview01'>2vj7</scene>, resolution 1.60Å | |PDB= 2vj7 |SIZE=350|CAPTION= <scene name='initialview01'>2vj7</scene>, resolution 1.60Å | ||
|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> | ||
| - | |LIGAND= <scene name='pdbligand=VG6:'>VG6</scene> | + | |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> |
| - | |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] | + | |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= | ||
| + | |DOMAIN= | ||
| + | |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]] | ||
| + | |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.]] | ||
| - | [[Category: VG6]] | ||
[[Category: alternative splicing]] | [[Category: alternative splicing]] | ||
[[Category: asp-2]] | [[Category: asp-2]] | ||
| Line 65: | Line 67: | ||
[[Category: zymogen]] | [[Category: zymogen]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''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
| |||||||
| , 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
Page seeded by OCA on Mon Mar 31 05:13:04 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. | Alternative splicing | Asp-2 | Aspartyl protease | Bace-1 | Beta-secretase | Beta-site app cleaving enzyme | Glycoprotein | Hydrolase | Memapsin-2 | Membrane | Protease | Transmembrane | Zymogen
