2r6n
From Proteopedia
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|PDB= 2r6n |SIZE=350|CAPTION= <scene name='initialview01'>2r6n</scene>, resolution 1.950Å | |PDB= 2r6n |SIZE=350|CAPTION= <scene name='initialview01'>2r6n</scene>, resolution 1.950Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=CKE:1-{7- | + | |LIGAND= <scene name='pdbligand=CKE:1-{7-CYCLOHEXYL-6-[4-(4-METHYLPIPERAZIN-1-YL)BENZYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}METHANAMINE'>CKE</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span> |
|GENE= CTSK, CTSO, CTSO2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= CTSK, CTSO, CTSO2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1u9v|1U9V]], [[1u9w|1U9W]], [[1u9x|1U9X]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2r6n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2r6n OCA], [http://www.ebi.ac.uk/pdbsum/2r6n PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2r6n RCSB]</span> | ||
}} | }} | ||
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==Overview== | ==Overview== | ||
Pyrrolopyrimidine, a novel scaffold, allows to adjust interactions within the S3 subsite of cathepsin K. The core intermediate 10 facilitated the P3 optimization and identified highly potent and selective cathepsin K inhibitors 11-20. | Pyrrolopyrimidine, a novel scaffold, allows to adjust interactions within the S3 subsite of cathepsin K. The core intermediate 10 facilitated the P3 optimization and identified highly potent and selective cathepsin K inhibitors 11-20. | ||
| - | |||
| - | ==Disease== | ||
| - | Known disease associated with this structure: Pycnodysostosis OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=601105 601105]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Mathis, B.]] | [[Category: Mathis, B.]] | ||
[[Category: Ramage, P.]] | [[Category: Ramage, P.]] | ||
| - | [[Category: CKE]] | ||
[[Category: covalent bond to inhibitor]] | [[Category: covalent bond to inhibitor]] | ||
[[Category: disease mutation]] | [[Category: disease mutation]] | ||
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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 Mon Mar 31 04:57:04 2008'' |
Revision as of 01:57, 31 March 2008
| |||||||
| , resolution 1.950Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | CTSK, CTSO, CTSO2 (Homo sapiens) | ||||||
| Activity: | Cathepsin K, with EC number 3.4.22.38 | ||||||
| Related: | 1U9V, 1U9W, 1U9X
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K
Overview
Pyrrolopyrimidine, a novel scaffold, allows to adjust interactions within the S3 subsite of cathepsin K. The core intermediate 10 facilitated the P3 optimization and identified highly potent and selective cathepsin K inhibitors 11-20.
About this Structure
2R6N is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Novel scaffold for cathepsin K inhibitors., Teno N, Miyake T, Ehara T, Irie O, Sakaki J, Ohmori O, Gunji H, Matsuura N, Masuya K, Hitomi Y, Nonomura K, Horiuchi M, Gohda K, Iwasaki A, Umemura I, Tada S, Kometani M, Iwasaki G, Cowan-Jacob SW, Missbach M, Lattmann R, Betschart C, Bioorg Med Chem Lett. 2007 Nov 15;17(22):6096-100. Epub 2007 Sep 15. PMID:17911019
Page seeded by OCA on Mon Mar 31 04:57:04 2008
