2hm1: Difference between revisions
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[[Image:2hm1.gif|left|200px]] | [[Image:2hm1.gif|left|200px]] | ||
'''Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2)''' | {{Structure | ||
|PDB= 2hm1 |SIZE=350|CAPTION= <scene name='initialview01'>2hm1</scene>, resolution 2.200Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=LIQ:N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE'>LIQ</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] | |||
|GENE= BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2)''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2HM1 is a [ | 2HM1 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HM1 OCA]. | ||
==Reference== | ==Reference== | ||
Design of potent inhibitors of human beta-secretase. Part 2., Freskos JN, Fobian YM, Benson TE, Moon JB, Bienkowski MJ, Brown DL, Emmons TL, Heintz R, Laborde A, McDonald JJ, Mischke BV, Molyneaux JM, Mullins PB, Bryan Prince D, Paddock DJ, Tomasselli AG, Winterrowd G, Bioorg Med Chem Lett. 2007 Jan 1;17(1):78-81. Epub 2006 Oct 4. PMID:[http:// | Design of potent inhibitors of human beta-secretase. Part 2., Freskos JN, Fobian YM, Benson TE, Moon JB, Bienkowski MJ, Brown DL, Emmons TL, Heintz R, Laborde A, McDonald JJ, Mischke BV, Molyneaux JM, Mullins PB, Bryan Prince D, Paddock DJ, Tomasselli AG, Winterrowd G, Bioorg Med Chem Lett. 2007 Jan 1;17(1):78-81. Epub 2006 Oct 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17049233 17049233] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:18:40 2008'' | ||
Revision as of 15:18, 20 March 2008
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| 2hm1, resolution 2.200Å | |||||||||||||
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| Ligands: | LIQ | ||||||||||||
| Gene: | BACE (Homo sapiens) | ||||||||||||
| Activity: | Memapsin 2, with EC number 3.4.23.46 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2)
Overview
We describe an optimized series of acyclic hydroxyethylamine transition state isosteres of beta-secretase that incorporates a variety of P(2) side chains that yield potent inhibitors with excellent cellular activity. A 2.2A crystal structure of compound 13 is shown.
About this Structure
2HM1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Design of potent inhibitors of human beta-secretase. Part 2., Freskos JN, Fobian YM, Benson TE, Moon JB, Bienkowski MJ, Brown DL, Emmons TL, Heintz R, Laborde A, McDonald JJ, Mischke BV, Molyneaux JM, Mullins PB, Bryan Prince D, Paddock DJ, Tomasselli AG, Winterrowd G, Bioorg Med Chem Lett. 2007 Jan 1;17(1):78-81. Epub 2006 Oct 4. PMID:17049233
Page seeded by OCA on Thu Mar 20 17:18:40 2008
