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1wbk

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Revision as of 06:29, 6 October 2021

HIV-1 protease in complex with asymmetric inhibitor, BEA568

Structural highlights

1wbk is a 2 chain structure with sequence from 9hiv1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Related:	1wbm
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

A series of HIV-1 protease inhibitors having new tetrahydrofuran P2/P2' groups have been synthesised and tested for protease inhibition and antiviral activity. Six novel 4-aminotetrahydrofuran derivatives were prepared starting from commercially available isopropylidene-alpha-D-xylofuranose yielding six symmetrical and six unsymmetrical inhibitors. Promising sub nanomolar HIV-1 protease inhibitory activities were obtained. The X-ray crystal structure of the most potent inhibitor (23, K(i) 0.25 nM) co-crystallised with HIV-1 protease is discussed and the binding compared with inhibitors 1a and 1b.

Design and synthesis of HIV-1 protease inhibitors. Novel tetrahydrofuran P2/P2'-groups interacting with Asp29/30 of the HIV-1 protease. Determination of binding from X-ray crystal structure of inhibitor protease complex.,Oscarsson K, Lahmann M, Lindberg J, Kangasmetsa J, Unge T, Oscarson S, Hallberg A, Samuelsson B Bioorg Med Chem. 2003 Mar 20;11(6):1107-15. PMID:12614898^[1]

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

References

↑ Oscarsson K, Lahmann M, Lindberg J, Kangasmetsa J, Unge T, Oscarson S, Hallberg A, Samuelsson B. Design and synthesis of HIV-1 protease inhibitors. Novel tetrahydrofuran P2/P2'-groups interacting with Asp29/30 of the HIV-1 protease. Determination of binding from X-ray crystal structure of inhibitor protease complex. Bioorg Med Chem. 2003 Mar 20;11(6):1107-15. PMID:12614898

1 Structural highlights
2 Evolutionary Conservation
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1wbk"

@@ Line 3: / Line 3: @@
 <StructureSection load='1wbk' size='340' side='right'caption='[[1wbk]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[1wbk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WBK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1WBK FirstGlance]. <br>
+<table><tr><td colspan='2'>[[1wbk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WBK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1WBK FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=568:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]'>568</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=568:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]'>568</scene></td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1wbm|1wbm]]</td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1wbm|1wbm]]</div></td></tr>
-<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=1wbk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbk OCA], [http://pdbe.org/1wbk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1wbk RCSB], [http://www.ebi.ac.uk/pdbsum/1wbk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbk ProSAT]</span></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=1wbk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wbk OCA], [https://pdbe.org/1wbk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1wbk RCSB], [https://www.ebi.ac.uk/pdbsum/1wbk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1wbk ProSAT]</span></td></tr>
 </table>
 == Evolutionary Conservation ==

1wbk

From Proteopedia

Revision as of 06:29, 6 October 2021

HIV-1 protease in complex with asymmetric inhibitor, BEA568

Structural highlights

Evolutionary Conservation

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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