4uy1: Difference between revisions

Line 1:

'''~~Unreleased structure~~'''

==Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors==

~~The entry~~ 4uy1 is ~~ON HOLD~~

== Structural highlights ==

<table><tr><td colspan='2'>[[4uy1]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UY1 OCA]. For a guided tour on the structure components use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UY1 FirstGlance].

~~Authors~~: ~~Sandmark~~, J., ~~Oster~~, L., ~~Hallberg, K~~., Bodin, C., Chen, H.

</td></tr><tr id='ligand'><td class="sblockLbl">[[Ligand|Ligands:]]</td><td class="sblockDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TJM:5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE'>TJM</scene></td></tr>

<tr id='activity'><td class="sblockLbl">Activity:</td><td class="sblockDat">[http://en.wikipedia.org/wiki/Phospholipase_A(2) Phospholipase A(2)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.4 3.1.1.4] </td></tr>

~~Description~~: ~~Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors~~

<tr id='resources'><td class="sblockLbl">Resources:</td><td class="sblockDat">[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4uy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uy1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uy1 RCSB], [http://www.ebi.ac.uk/pdbsum/4uy1 PDBsum]</td></tr>

</table>

__TOC__

</StructureSection>

[[Category: Bodin, C.]]

[[Category: Chen, H.]]

[[Category: Hallberg, K.]]

[[Category: Oster, L.]]

[[Category: Sandmark, J.]]

[[Category: Drug discovery]]

[[Category: Fragment based lead generation]]

[[Category: Hydrolase]]

[[Category: Virtual screening]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+==Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors==
+<StructureSection load='4uy1' size='340' side='right' caption='[[4uy1]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
-The entry 4uy1 is ON HOLD
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4uy1]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UY1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UY1 FirstGlance]. <br>
-Authors: Sandmark, J., Oster, L., Hallberg, K., Bodin, C., Chen, H.
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TJM:5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE'>TJM</scene></td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Phospholipase_A(2) Phospholipase A(2)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.4 3.1.1.4] </span></td></tr>
-Description: Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4uy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uy1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uy1 RCSB], [http://www.ebi.ac.uk/pdbsum/4uy1 PDBsum]</span></td></tr>
+</table>
+__TOC__
+</StructureSection>
+[[Category: Bodin, C.]]
+[[Category: Chen, H.]]
+[[Category: Hallberg, K.]]
+[[Category: Oster, L.]]
+[[Category: Sandmark, J.]]
+[[Category: Drug discovery]]
+[[Category: Fragment based lead generation]]
+[[Category: Hydrolase]]
+[[Category: Virtual screening]]