5mpz - Revision history

OCA at 17:43, 8 November 2023

OCA — Wed, 08 Nov 2023 17:43:46 GMT

←Older revision		Revision as of 17:43, 8 November 2023
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	<StructureSection load='5mpz' size='340' side='right'caption='[[5mpz]], [[Resolution\|resolution]] 1.40Å' scene=''>		<StructureSection load='5mpz' size='340' side='right'caption='[[5mpz]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5mpz]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MPZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5MPZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5mpz]] 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=5MPZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5MPZ FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=4I8:METHYL+2-OXIDANYLIDENE-3~{H}~~-1~~,3-BENZOXAZOLE-6-CARBOXYLATE'>4I8</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]] 1.4Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>CREBBP, CBP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id~~=9606 HUMAN])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4I8:METHYL+2-OXIDANYLIDENE-3~{H}-1,3-BENZOXAZOLE-6-CARBOXYLATE'>4I8</scene></td></tr>
-	~~<tr id='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=2.~~3.1~~.48 2.~~3~~.1.48]~~ </~~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=5mpz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpz OCA], [https://pdbe.org/5mpz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5mpz RCSB], [https://www.ebi.ac.uk/pdbsum/5mpz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpz ProSAT]</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=5mpz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpz OCA], [~~http~~://pdbe.org/5mpz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5mpz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5mpz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpz ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Note=Chromosomal aberrations involving CREBBP may be a cause of acute myeloid leukemias. Translocation t(8;16)(p11;p13) with KAT6A; translocation t(11;16)(q23;p13.3) with MLL/HRX; translocation t(10;16)(q22;p13) with KAT6B. KAT6A-CREBBP may induce leukemia by inhibiting RUNX1-mediated transcription. Defects in CREBBP are a cause of Rubinstein-Taybi syndrome type 1 (RSTS1) [MIM:[~~http~~://omim.org/entry/180849 180849]]. RSTS1 is an autosomal dominant disorder characterized by craniofacial abnormalities, broad thumbs, broad big toes, mental retardation and a propensity for development of malignancies.<ref>PMID:11331617</ref> <ref>PMID:12114483</ref> <ref>PMID:12566391</ref> <ref>PMID:15706485</ref>	+	[https://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN] Note=Chromosomal aberrations involving CREBBP may be a cause of acute myeloid leukemias. Translocation t(8;16)(p11;p13) with KAT6A; translocation t(11;16)(q23;p13.3) with MLL/HRX; translocation t(10;16)(q22;p13) with KAT6B. KAT6A-CREBBP may induce leukemia by inhibiting RUNX1-mediated transcription. Defects in CREBBP are a cause of Rubinstein-Taybi syndrome type 1 (RSTS1) [MIM:[https://omim.org/entry/180849 180849]. RSTS1 is an autosomal dominant disorder characterized by craniofacial abnormalities, broad thumbs, broad big toes, mental retardation and a propensity for development of malignancies.<ref>PMID:11331617</ref> <ref>PMID:12114483</ref> <ref>PMID:12566391</ref> <ref>PMID:15706485</ref>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>	+	[https://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 5mpz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5mpz" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[CREB-binding protein 3D structures\|CREB-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Histone acetyltransferase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Caflisch, A]]	+	[[Category: Caflisch A]]
-	[[Category: Spiliotopoulos, D]]	+	[[Category: Spiliotopoulos D]]
-	[[Category: Zhu, J]]	+	[[Category: Zhu J]]
-	~~[[Category: Crebbp bromodomain]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 06:37, 16 October 2019

OCA — Wed, 16 Oct 2019 06:37:36 GMT

←Older revision		Revision as of 06:37, 16 October 2019
Line 1:		Line 1:

	==Crystal structure of CREBBP bromodomain complexed with CBP007==		==Crystal structure of CREBBP bromodomain complexed with CBP007==
-	<StructureSection load='5mpz' size='340' side='right' caption='[[5mpz]], [[Resolution\|resolution]] 1.40Å' scene=''>	+	<StructureSection load='5mpz' size='340' side='right'caption='[[5mpz]], [[Resolution\|resolution]] 1.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5mpz]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MPZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5mpz]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MPZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPZ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4I8:METHYL+2-OXIDANYLIDENE-3~{H}-1,3-BENZOXAZOLE-6-CARBOXYLATE'>4I8</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4I8:METHYL+2-OXIDANYLIDENE-3~{H}-1,3-BENZOXAZOLE-6-CARBOXYLATE'>4I8</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CREBBP, CBP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </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=5mpz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpz OCA], [http://pdbe.org/5mpz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mpz RCSB], [http://www.ebi.ac.uk/pdbsum/5mpz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpz ProSAT]</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=5mpz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpz OCA], [http://pdbe.org/5mpz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mpz RCSB], [http://www.ebi.ac.uk/pdbsum/5mpz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpz ProSAT]</span></td></tr>
Line 26:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Histone acetyltransferase]]		[[Category: Histone acetyltransferase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Spiliotopoulos, D]]		[[Category: Spiliotopoulos, D]]

OCA at 12:51, 10 May 2017

OCA — Wed, 10 May 2017 12:51:15 GMT

←Older revision		Revision as of 12:51, 10 May 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5mpz is ~~ON HOLD~~	+	==Crystal structure of CREBBP bromodomain complexed with CBP007==
		+	<StructureSection load='5mpz' size='340' side='right' caption='[[5mpz]], [[Resolution\|resolution]] 1.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5mpz]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MPZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPZ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4I8:METHYL+2-OXIDANYLIDENE-3~{H}-1,3-BENZOXAZOLE-6-CARBOXYLATE'>4I8</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </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=5mpz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpz OCA], [http://pdbe.org/5mpz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mpz RCSB], [http://www.ebi.ac.uk/pdbsum/5mpz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpz ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Note=Chromosomal aberrations involving CREBBP may be a cause of acute myeloid leukemias. Translocation t(8;16)(p11;p13) with KAT6A; translocation t(11;16)(q23;p13.3) with MLL/HRX; translocation t(10;16)(q22;p13) with KAT6B. KAT6A-CREBBP may induce leukemia by inhibiting RUNX1-mediated transcription. Defects in CREBBP are a cause of Rubinstein-Taybi syndrome type 1 (RSTS1) [MIM:[http://omim.org/entry/180849 180849]]. RSTS1 is an autosomal dominant disorder characterized by craniofacial abnormalities, broad thumbs, broad big toes, mental retardation and a propensity for development of malignancies.<ref>PMID:11331617</ref> <ref>PMID:12114483</ref> <ref>PMID:12566391</ref> <ref>PMID:15706485</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Overexpression of the CREB-binding protein (CBP), a bromodomain-containing transcription coactivator involved in a variety of cellular processes, has been observed in several types of cancer with a correlation to aggressiveness. We have screened a library of nearly 1500 fragments by high-throughput docking into the CBP bromodomain followed by binding energy evaluation using a force field with electrostatic solvation. Twenty of the 39 fragments selected by virtual screening are positive in one or more ligand-observed nuclear magnetic resonance (NMR) experiments. Four crystal structures of the CBP bromodomain in complex with in silico screening hits validate the pose predicted by docking. Thus, the success ratio of the high-throughput docking procedure is 50% or 10% if one considers the validation by ligand-observed NMR spectroscopy or X-ray crystallography, respectively. Compounds 1 and 3 show favorable ligand efficiency in two different in vitro binding assays. The structure of the CBP bromodomain in the complex with the brominated pyrrole 1 suggests fragment growing by Suzuki coupling.

-	~~Authors~~: Zhu, J., ~~Caflisch~~, A.	+	Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.,Spiliotopoulos D, Zhu J, Wamhoff EC, Deerain N, Marchand JR, Aretz J, Rademacher C, Caflisch A Bioorg Med Chem Lett. 2017 Apr 4. pii: S0960-894X(17)30364-5. doi:, 10.1016/j.bmcl.2017.04.001. PMID:28410781<ref>PMID:28410781</ref>

-	~~Description: Crystal structure~~ of ~~CREBBP bromodomain complexed with CBP007~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Zhu, J~~]]	+	<div class="pdbe-citations 5mpz" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Histone acetyltransferase]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
		+	[[Category: Spiliotopoulos, D]]
		+	[[Category: Zhu, J]]
		+	[[Category: Crebbp bromodomain]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transcription]]

OCA at 11:32, 9 March 2017

OCA — Thu, 09 Mar 2017 11:32:16 GMT

←Older revision		Revision as of 11:32, 9 March 2017
Line 7:		Line 7:
	Description: Crystal structure of CREBBP bromodomain complexed with CBP007		Description: Crystal structure of CREBBP bromodomain complexed with CBP007
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Caflisch, A]]
	[[Category: Zhu, J]]		[[Category: Zhu, J]]
		+	[[Category: Caflisch, A]]

OCA: Protected "5mpz" [edit=sysop:move=sysop]

OCA — Mon, 02 Jan 2017 13:50:58 GMT

Protected "5mpz" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:50, 2 January 2017

OCA: New page: '''Unreleased structure''' The entry 5mpz is ON HOLD Authors: Zhu, J., Caflisch, A. Description: Crystal structure of CREBBP bromodomain complexed with CBP007 [[Category: Unreleased St...

OCA — Mon, 02 Jan 2017 13:50:57 GMT

New page: '''Unreleased structure''' The entry 5mpz is ON HOLD Authors: Zhu, J., Caflisch, A. Description: Crystal structure of CREBBP bromodomain complexed with CBP007 [[Category: Unreleased St...

New page

'''Unreleased structure'''

The entry 5mpz is ON HOLD

Authors: Zhu, J., Caflisch, A.

Description: Crystal structure of CREBBP bromodomain complexed with CBP007
[[Category: Unreleased Structures]]
[[Category: Caflisch, A]]
[[Category: Zhu, J]]