298d - Revision history

OCA at 09:10, 14 February 2024

OCA — Wed, 14 Feb 2024 09:10:30 GMT

←Older revision		Revision as of 09:10, 14 February 2024
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	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [https://pdbe.org/298d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [https://www.ebi.ac.uk/pdbsum/298d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=298d 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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [https://pdbe.org/298d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [https://www.ebi.ac.uk/pdbsum/298d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=298d ProSAT]</span></td></tr>
	</table>		</table>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Crystal structures are reported of complexes of two novel furan derivatives of berenil with alkyl benzamidine groups bound to the DNA sequence d(CGCGAATTCGCG)2. They have both been determined to 2.2 A resolution and refined to R factors of 16.9% and 18.6%. In both structures the alkyl substituents, cyclopropyl and isopropyl, are found to be orientated away from the floor of the minor groove. The drugs are located in the minor groove by two strong amidinium hydrogen bonds, to the O2 of the thymines situated at the 5' and 3' ends of the AT-rich region. The isopropyl-substituted derivative has a tight hydrogen-bonded water network in the minor groove at one amidine site, which alters the orientation of the isopropyl substituent. This compound has superior DNA-binding properties and activity against Pneumocystis carinii and Cryptosporidium parvum infections in vivo compared to the cyclopropyl derivative, which in turn is superior to the parent furan compound. We suggest that the nature and extent of the interactions of these compounds in the DNA minor groove play an important role in these activities, possibly in conjunction with a DNA-binding protein. The overall effect of these alkyl benzamidine substitutions is to increase the binding of the drugs to the minor groove.
-
-	Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.,Trent JO, Clark GR, Kumar A, Wilson WD, Boykin DW, Hall JE, Tidwell RR, Blagburn BL, Neidle S J Med Chem. 1996 Nov 8;39(23):4554-62. PMID:8917643<ref>PMID:8917643</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 298d" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 07:58, 23 August 2023

OCA — Wed, 23 Aug 2023 07:58:49 GMT

←Older revision		Revision as of 07:58, 23 August 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=298D FirstGlance]. <br>		<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=298D FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [https://pdbe.org/298d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [https://www.ebi.ac.uk/pdbsum/298d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=298d 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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [https://pdbe.org/298d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [https://www.ebi.ac.uk/pdbsum/298d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=298d ProSAT]</span></td></tr>
	</table>		</table>
Line 21:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Blagburn~~, B L~~]]	+	[[Category: Blagburn BL]]
-	[[Category: Boykin~~, D W~~]]	+	[[Category: Boykin DW]]
-	[[Category: Clark~~, G R~~]]	+	[[Category: Clark GR]]
-	[[Category: Hall~~, J E~~]]	+	[[Category: Hall JE]]
-	[[Category: Kumar, A]]	+	[[Category: Kumar A]]
-	[[Category: Neidle, S]]	+	[[Category: Neidle S]]
-	[[Category: Tidwell~~, R R~~]]	+	[[Category: Tidwell RR]]
-	[[Category: Trent~~, J O~~]]	+	[[Category: Trent JO]]
-	[[Category: Wilson~~, W D]]~~	+	[[Category: Wilson WD]]
-	~~[[Category: B-dna]]~~	+
-	~~[[Category: Complexed with drug]]~~	+
-	~~[[Category: Dna]]~~	+
-	~~[[Category: Double helix~~]]	+

OCA at 14:34, 17 November 2021

OCA — Wed, 17 Nov 2021 14:34:43 GMT

←Older revision		Revision as of 14:34, 17 November 2021
Line 3:		Line 3:
	<StructureSection load='298d' size='340' side='right'caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='298d' size='340' side='right'caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=298D FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=298D FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [~~http~~://pdbe.org/298d PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/298d PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=298d 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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [https://pdbe.org/298d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [https://www.ebi.ac.uk/pdbsum/298d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=298d ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:29, 13 February 2020

OCA — Thu, 13 Feb 2020 05:29:44 GMT

←Older revision		Revision as of 05:29, 13 February 2020
Line 1:		Line 1:

	==TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2==		==TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2==
-	<StructureSection load='298d' size='340' side='right' caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='298d' size='340' side='right'caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>		<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>
Line 20:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Blagburn, B L]]		[[Category: Blagburn, B L]]
	[[Category: Boykin, D W]]		[[Category: Boykin, D W]]

OCA at 07:23, 9 May 2018

OCA — Wed, 09 May 2018 07:23:44 GMT

←Older revision		Revision as of 07:23, 9 May 2018
Line 1:		Line 1:
		+
	==TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2==		==TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2==
	<StructureSection load='298d' size='340' side='right' caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='298d' size='340' side='right' caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>
Line 4:		Line 5:
	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>		<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://pdbe.org/298d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum]</span></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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://pdbe.org/298d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=298d ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 13:50, 10 September 2015

OCA — Thu, 10 Sep 2015 13:50:15 GMT

←Older revision		Revision as of 13:50, 10 September 2015
Line 4:		Line 4:
	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>		<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum]</span></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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://pdbe.org/298d PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 14:		Line 14:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 298d" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 22:09, 3 January 2015

OCA — Sat, 03 Jan 2015 22:09:17 GMT

←Older revision		Revision as of 22:09, 3 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>		<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum]</span></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=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 18:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Blagburn, B L.]]	+	[[Category: Blagburn, B L]]
-	[[Category: Boykin, D W.]]	+	[[Category: Boykin, D W]]
-	[[Category: Clark, G R.]]	+	[[Category: Clark, G R]]
-	[[Category: Hall, J E.]]	+	[[Category: Hall, J E]]
-	[[Category: Kumar, A.]]	+	[[Category: Kumar, A]]
-	[[Category: Neidle, S.]]	+	[[Category: Neidle, S]]
-	[[Category: Tidwell, R R.]]	+	[[Category: Tidwell, R R]]
-	[[Category: Trent, J O.]]	+	[[Category: Trent, J O]]
-	[[Category: Wilson, W D.]]	+	[[Category: Wilson, W D]]
	[[Category: B-dna]]		[[Category: B-dna]]
	[[Category: Complexed with drug]]		[[Category: Complexed with drug]]
	[[Category: Dna]]		[[Category: Dna]]
	[[Category: Double helix]]		[[Category: Double helix]]

OCA at 07:10, 9 June 2014

OCA — Mon, 09 Jun 2014 07:10:07 GMT

←Older revision		Revision as of 07:10, 9 June 2014
Line 1:		Line 1:
-	[[~~Image:~~298d.~~png~~\|~~left\|200px~~]]	+	==TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2==
		+	<StructureSection load='298d' size='340' side='right' caption='[[298d]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298D FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D18:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN'>D18</scene><br>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=298d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=298d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=298d RCSB], [http://www.ebi.ac.uk/pdbsum/298d PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Crystal structures are reported of complexes of two novel furan derivatives of berenil with alkyl benzamidine groups bound to the DNA sequence d(CGCGAATTCGCG)2. They have both been determined to 2.2 A resolution and refined to R factors of 16.9% and 18.6%. In both structures the alkyl substituents, cyclopropyl and isopropyl, are found to be orientated away from the floor of the minor groove. The drugs are located in the minor groove by two strong amidinium hydrogen bonds, to the O2 of the thymines situated at the 5' and 3' ends of the AT-rich region. The isopropyl-substituted derivative has a tight hydrogen-bonded water network in the minor groove at one amidine site, which alters the orientation of the isopropyl substituent. This compound has superior DNA-binding properties and activity against Pneumocystis carinii and Cryptosporidium parvum infections in vivo compared to the cyclopropyl derivative, which in turn is superior to the parent furan compound. We suggest that the nature and extent of the interactions of these compounds in the DNA minor groove play an important role in these activities, possibly in conjunction with a DNA-binding protein. The overall effect of these alkyl benzamidine substitutions is to increase the binding of the drugs to the minor groove.

-	~~{{STRUCTURE_298d\| PDB=298d \| SCENE= }}~~	+	Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.,Trent JO, Clark GR, Kumar A, Wilson WD, Boykin DW, Hall JE, Tidwell RR, Blagburn BL, Neidle S J Med Chem. 1996 Nov 8;39(23):4554-62. PMID:8917643<ref>PMID:8917643</ref>

-	~~===TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_8917643}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[298d]] is~~ a ~~2 chain structure~~. ~~Full crystallographic information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=298D OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:008917643<~~/~~ref~~><~~ref group="xtra">PMID:018798655</ref><references group="xtra"~~/>	+
	[[Category: Blagburn, B L.]]		[[Category: Blagburn, B L.]]
	[[Category: Boykin, D W.]]		[[Category: Boykin, D W.]]

OCA: Protected "298d" [edit=sysop:move=sysop]

OCA — Tue, 14 Aug 2012 16:43:11 GMT

Protected "298d" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:43, 14 August 2012

OCA at 16:43, 14 August 2012

OCA — Tue, 14 Aug 2012 16:43:09 GMT

←Older revision		Revision as of 16:43, 14 August 2012
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-	{{Seed}}
	[[Image:298d.png\|left\|200px]]		[[Image:298d.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_298d\| PDB=298d \| SCENE= }}		{{STRUCTURE_298d\| PDB=298d \| SCENE= }}

	===TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2===		===TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_8917643}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 8917643 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_8917643}}		{{ABSTRACT_PUBMED_8917643}}

	==About this Structure==		==About this Structure==
-	Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA].	+	[[298d]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=298D OCA].

	==Reference==		==Reference==
-	~~Targeting the minor groove of DNA~~: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2., Trent JO, Clark GR, Kumar A, Wilson WD, Boykin DW, Hall JE, Tidwell RR, Blagburn BL, Neidle S, J Med Chem. 1996 Nov 8;39(23):4554-62. PMID:~~[http://www.ncbi.nlm.nih.gov~~/~~pubmed~~/~~8917643 8917643]~~	+	<ref group="xtra">PMID:008917643</ref><ref group="xtra">PMID:018798655</ref><references group="xtra"/>
	[[Category: Blagburn, B L.]]		[[Category: Blagburn, B L.]]
	[[Category: Boykin, D W.]]		[[Category: Boykin, D W.]]
Line 35:		Line 23:
	[[Category: B-dna]]		[[Category: B-dna]]
	[[Category: Complexed with drug]]		[[Category: Complexed with drug]]
		+	[[Category: Dna]]
	[[Category: Double helix]]		[[Category: Double helix]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 05:17:32 2008''