2hhn: Difference between revisions

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~~{{Seed}}~~

~~[[Image:2hhn.png|left|200px]]~~

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==Cathepsin S in complex with non covalent arylaminoethyl amide.==

~~The line below this paragraph~~, ~~containing~~ "~~STRUCTURE_2hhn~~"~~, creates the~~ "~~Structure Box~~" ~~on the page~~.

~~You may change~~ the ~~PDB parameter (which sets~~ the ~~PDB file loaded into~~ the ~~applet)~~

== Structural highlights ==

or the ~~SCENE parameter (which sets~~ the ~~initial scene displayed when~~ the ~~page is loaded),~~

<table><tr><td colspan='2'>[[2hhn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HHN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2HHN FirstGlance]. <br>

~~or leave~~ the ~~SCENE parameter empty for the default display~~.

</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55Å</td></tr>

-->

<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GNQ:N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE'>GNQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>

~~{{STRUCTURE_2hhn| PDB~~=~~2hhn | SCENE~~= }}

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2hhn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hhn OCA], [https://pdbe.org/2hhn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2hhn RCSB], [https://www.ebi.ac.uk/pdbsum/2hhn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2hhn ProSAT]</span></td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/CATS_HUMAN CATS_HUMAN] Thiol protease. Key protease responsible for the removal of the invariant chain from MHC class II molecules. The bond-specificity of this proteinase is in part similar to the specificities of cathepsin L and cathepsin N.

== Evolutionary Conservation ==

[[Image:Consurf_key_small.gif|200px|right]]

Check<jmol>

<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hh/2hhn_consurf.spt"</scriptWhenChecked>

<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>

<text>to colour the structure by Evolutionary Conservation</text>

</jmolCheckbox>

</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2hhn ConSurf].

== Publication Abstract from PubMed ==

The synthesis and structure-activity relationship of a series of arylaminoethyl amide cathepsin S inhibitors are reported. Optimization of P3 and P2 groups to improve overall physicochemical properties resulted in significant improvements in oral bioavailability over early lead compounds. An X-ray structure of compound 37 bound to the active site of cathepsin S is also reported.

~~===Cathepsin~~ S ~~in complex with non covalent arylaminoethyl amide~~.~~===~~

Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.,Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:16876402<ref>PMID:16876402</ref>

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

</div>

~~<!--~~

==See Also==

~~The line below this paragraph, {{ABSTRACT_PUBMED_16876402}}, adds the Publication Abstract to the page~~

*[[Cathepsin 3D structures|Cathepsin 3D structures]]

~~(as it appears on PubMed at http://www.pubmed.gov), where 16876402 is the PubMed ID number.~~

== References ==

~~-->~~

~~{{ABSTRACT_PUBMED_16876402}}~~

__TOC__

</StructureSection>

==~~About this Structure~~==

~~2HHN 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=2HHN OCA~~].

==~~Reference~~==

Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers., Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:[http://~~www.ncbi.nlm.nih.gov/pubmed/16876402 16876402]~~

~~[[Category: Cathepsin S]]~~

[[Category: Homo sapiens]]

[[Category: ~~Single protein~~]]

[[Category: Large Structures]]

[[Category: Clark, K.]]

[[Category: Clark K]]

[[Category: Harris~~, J L.~~]]

[[Category: Harris JL]]

[[Category: Hornsby, M.]]

[[Category: Hornsby M]]

[[Category: Karenewsky~~, D S.~~]]

[[Category: Karenewsky DS]]

[[Category: Kulathila, R.]]

[[Category: Kulathila R]]

[[Category: Lesley~~, S A.~~]]

[[Category: Lesley SA]]

[[Category: Spraggon, G.]]

[[Category: Spraggon G]]

[[Category: Tully~~, D C.~~]]

[[Category: Tully DC]]

~~[[Category: Arylaminoethyl amide]]~~

~~[[Category: Cathepsin s]]~~

~~[[Category: Inhibition]]~~

~~[[Category: Noncovalent]]~~

~~[[Category: Protease]]~~

~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 03:35:59 2008''~~

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@@ Line 1: / Line 1: @@
-{{Seed}}
-[[Image:2hhn.png|left|200px]]
-<!--
+==Cathepsin S in complex with non covalent arylaminoethyl amide.==
-The line below this paragraph, containing "STRUCTURE_2hhn", creates the "Structure Box" on the page.
+<StructureSection load='2hhn' size='340' side='right'caption='[[2hhn]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[2hhn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HHN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2HHN FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GNQ:N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE'>GNQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-{{STRUCTURE_2hhn|  PDB=2hhn  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2hhn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hhn OCA], [https://pdbe.org/2hhn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2hhn RCSB], [https://www.ebi.ac.uk/pdbsum/2hhn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2hhn ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/CATS_HUMAN CATS_HUMAN] Thiol protease. Key protease responsible for the removal of the invariant chain from MHC class II molecules. The bond-specificity of this proteinase is in part similar to the specificities of cathepsin L and cathepsin N.
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hh/2hhn_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2hhn ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The synthesis and structure-activity relationship of a series of arylaminoethyl amide cathepsin S inhibitors are reported. Optimization of P3 and P2 groups to improve overall physicochemical properties resulted in significant improvements in oral bioavailability over early lead compounds. An X-ray structure of compound 37 bound to the active site of cathepsin S is also reported.
-===Cathepsin S in complex with non covalent arylaminoethyl amide.===
+Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.,Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:16876402<ref>PMID:16876402</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2hhn" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_16876402}}, adds the Publication Abstract to the page
+*[[Cathepsin 3D structures|Cathepsin 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 16876402 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_16876402}}
+__TOC__
+</StructureSection>
-==About this Structure==
-HHN 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=2HHN OCA].
-==Reference==
-Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers., Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16876402 16876402]
-[[Category: Cathepsin S]]
 [[Category: Homo sapiens]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Clark, K.]]
+[[Category: Clark K]]
-[[Category: Harris, J L.]]
+[[Category: Harris JL]]
-[[Category: Hornsby, M.]]
+[[Category: Hornsby M]]
-[[Category: Karenewsky, D S.]]
+[[Category: Karenewsky DS]]
-[[Category: Kulathila, R.]]
+[[Category: Kulathila R]]
-[[Category: Lesley, S A.]]
+[[Category: Lesley SA]]
-[[Category: Spraggon, G.]]
+[[Category: Spraggon G]]
-[[Category: Tully, D C.]]
+[[Category: Tully DC]]
-[[Category: Arylaminoethyl amide]]
-[[Category: Cathepsin s]]
-[[Category: Inhibition]]
-[[Category: Noncovalent]]
-[[Category: Protease]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 03:35:59 2008''