4fcr: Difference between revisions

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

~~The entry~~ 4fcr is ~~ON HOLD~~

==Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization==

== Structural highlights ==

<table><tr><td colspan='2'>[[4fcr]] is a 1 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=4FCR OCA]. For a guided tour on the structure components use [https://proteopedia.org/fgij/fg.htm?mol=4FCR FirstGlance].

</td></tr><tr id='method'><td class="sblockLbl">[[Empirical_models|Method:]]</td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.698Å</td></tr>

<tr id='ligand'><td class="sblockLbl">[[Ligand|Ligands:]]</td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0TM:2-{[4-(2-CHLORO-4,5-DIMETHOXYPHENYL)-5-CYANO-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N,N-DIMETHYLACETAMIDE'>0TM</scene></td></tr>

<tr id='resources'><td class="sblockLbl">Resources:</td><td class="sblockDat">[https://proteopedia.org/fgij/fg.htm?mol=4fcr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fcr OCA], [https://pdbe.org/4fcr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fcr RCSB], [https://www.ebi.ac.uk/pdbsum/4fcr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fcr ProSAT]</td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>

~~Authors~~: ~~Davies, N.G.,~~ Browne, H., Davis, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T~~., Drysdale, M.J.,~~ Mansell, H., Massey, A., Matassova, N., Moore~~, J.D.,~~ Murray, J., Pratt, R., Ray. S., Roughley~~, S.D., Jensen, M.R.,~~ Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L~~., Brough, P.~~

==See Also==

*[[Heat Shock Protein structures|Heat Shock Protein structures]]

~~Description: Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d~~]~~pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization~~

== References ==

__TOC__

</StructureSection>

[[Category: Homo sapiens]]

[[Category: Large Structures]]

[[Category: Brough P]]

[[Category: Browne H]]

[[Category: Davies NG]]

[[Category: Davis B]]

[[Category: Drysdale MJ]]

[[Category: Foloppe N]]

[[Category: Geoffrey S]]

[[Category: Gibbons B]]

[[Category: Hart T]]

[[Category: Jensen MR]]

[[Category: Mansell H]]

[[Category: Massey A]]

[[Category: Matassova N]]

[[Category: Moore JD]]

[[Category: Murray J]]

[[Category: Pratt R]]

[[Category: Ray S]]

[[Category: Roughley SD]]

[[Category: Schoepfer J]]

[[Category: Scriven K]]

[[Category: Simmonite H]]

[[Category: Stokes S]]

[[Category: Surgenor A]]

[[Category: Webb P]]

[[Category: Wright L]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 4fcr is ON HOLD
+==Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization==
+<StructureSection load='4fcr' size='340' side='right'caption='[[4fcr]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4fcr]] is a 1 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=4FCR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4FCR FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.698&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0TM:2-{[4-(2-CHLORO-4,5-DIMETHOXYPHENYL)-5-CYANO-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N,N-DIMETHYLACETAMIDE'>0TM</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4fcr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fcr OCA], [https://pdbe.org/4fcr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fcr RCSB], [https://www.ebi.ac.uk/pdbsum/4fcr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fcr ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
-Authors: Davies, N.G., Browne, H., Davis, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M.J., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray. S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.
+==See Also==
+*[[Heat Shock Protein structures|Heat Shock Protein structures]]
-Description: Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Homo sapiens]]
+[[Category: Large Structures]]
+[[Category: Brough P]]
+[[Category: Browne H]]
+[[Category: Davies NG]]
+[[Category: Davis B]]
+[[Category: Drysdale MJ]]
+[[Category: Foloppe N]]
+[[Category: Geoffrey S]]
+[[Category: Gibbons B]]
+[[Category: Hart T]]
+[[Category: Jensen MR]]
+[[Category: Mansell H]]
+[[Category: Massey A]]
+[[Category: Matassova N]]
+[[Category: Moore JD]]
+[[Category: Murray J]]
+[[Category: Pratt R]]
+[[Category: Ray S]]
+[[Category: Roughley SD]]
+[[Category: Schoepfer J]]
+[[Category: Scriven K]]
+[[Category: Simmonite H]]
+[[Category: Stokes S]]
+[[Category: Surgenor A]]
+[[Category: Webb P]]
+[[Category: Wright L]]