2qmf: Difference between revisions
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New page: left|200px<br /><applet load="2qmf" size="350" color="white" frame="true" align="right" spinBox="true" caption="2qmf, resolution 1.750Å" /> '''Structure of BACE B... |
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[[Image:2qmf.jpg|left|200px]] | [[Image:2qmf.jpg|left|200px]] | ||
'''Structure of BACE Bound to SCH735310''' | {{Structure | ||
|PDB= 2qmf |SIZE=350|CAPTION= <scene name='initialview01'>2qmf</scene>, resolution 1.750Å | |||
|SITE= <scene name='pdbsite=AC1:Cs9+Binding+Site+For+Residue+A+1'>AC1</scene>, <scene name='pdbsite=AC2:Cs9+Binding+Site+For+Residue+B+1'>AC2</scene>, <scene name='pdbsite=AC3:Tar+Binding+Site+For+Residue+A+2'>AC3</scene> and <scene name='pdbsite=AC4:Tar+Binding+Site+For+Residue+B+3'>AC4</scene> | |||
|LIGAND= <scene name='pdbligand=CS9:'>CS9</scene> and <scene name='pdbligand=TAR:D(-)-TARTARIC ACID'>TAR</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= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Structure of BACE Bound to SCH735310''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2QMF is a [ | 2QMF 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=2QMF OCA]. | ||
==Reference== | ==Reference== | ||
Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:[http:// | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18023580 18023580] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
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[[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 Thu Mar 20 18:27:19 2008'' | ||
Revision as of 19:27, 20 March 2008
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| , resolution 1.750Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | , , and | ||||||
| Ligands: | and | ||||||
| Gene: | BACE1, BACE (Homo sapiens) | ||||||
| Activity: | Memapsin 2, with EC number 3.4.23.46 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Structure of BACE Bound to SCH735310
OverviewOverview
Based on lead compound 1 identified from the patent literature, we developed novel patentable BACE-1 inhibitors by introducing a cyclic amine scaffold. Extensive SAR studies on both pyrrolidines and piperidines ultimately led to inhibitor 2f, one of the most potent inhibitors synthesized to date.
About this StructureAbout this Structure
2QMF is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
ReferenceReference
Potent pyrrolidine- and piperidine-based BACE-1 inhibitors., Iserloh U, Wu Y, Cumming JN, Pan J, Wang LY, Stamford AW, Kennedy ME, Kuvelkar R, Chen X, Parker EM, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):414-7. Epub 2007 Nov 6. PMID:18023580
Page seeded by OCA on Thu Mar 20 18:27:19 2008