7nwb - Revision history

OCA at 12:40, 1 February 2024

OCA — Thu, 01 Feb 2024 12:40:34 GMT

←Older revision		Revision as of 12:40, 1 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7nwb]] is a 4 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=7NWB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7NWB FirstGlance]. <br>		<table><tr><td colspan='2'>[[7nwb]] is a 4 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=7NWB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7NWB FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene>, <scene name='pdbligand=UTK:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile'>UTK</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]] 2.64Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene>, <scene name='pdbligand=UTK:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile'>UTK</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=7nwb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nwb OCA], [https://pdbe.org/7nwb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nwb RCSB], [https://www.ebi.ac.uk/pdbsum/7nwb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nwb 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=7nwb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nwb OCA], [https://pdbe.org/7nwb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nwb RCSB], [https://www.ebi.ac.uk/pdbsum/7nwb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nwb ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:11, 3 November 2022

OCA — Thu, 03 Nov 2022 07:11:26 GMT

←Older revision		Revision as of 07:11, 3 November 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7nwb is ~~ON HOLD until Paper~~ Publication	+	==CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 1==
		+	<StructureSection load='7nwb' size='340' side='right'caption='[[7nwb]], [[Resolution\|resolution]] 2.64Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7nwb]] is a 4 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=7NWB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7NWB FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene>, <scene name='pdbligand=UTK:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile'>UTK</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=7nwb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7nwb OCA], [https://pdbe.org/7nwb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7nwb RCSB], [https://www.ebi.ac.uk/pdbsum/7nwb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7nwb ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/BCAT1_HUMAN BCAT1_HUMAN] Catalyzes the first reaction in the catabolism of the essential branched chain amino acids leucine, isoleucine, and valine.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The branched-chain amino acid transaminases (BCATs) are enzymes that catalyze the first reaction of catabolism of the essential branched-chain amino acids to branched-chain keto acids to form glutamate. They are known to play a key role in different cancer types. Here, we report a new structural class of BCAT1/2 inhibitors, (trifluoromethyl)pyrimidinediones, identified by a high-throughput screening campaign and subsequent optimization guided by a series of X-ray crystal structures. Our potent dual BCAT1/2 inhibitor BAY-069 displays high cellular activity and very good selectivity. Along with a negative control (BAY-771), BAY-069 was donated as a chemical probe to the Structural Genomics Consortium.

-	~~Authors~~:	+	BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.,Gunther J, Hillig RC, Zimmermann K, Kaulfuss S, Lemos C, Nguyen D, Rehwinkel H, Habgood M, Lechner C, Neuhaus R, Ganzer U, Drewes M, Chai J, Bouche L J Med Chem. 2022 Oct 19. doi: 10.1021/acs.jmedchem.2c00441. PMID:36261130<ref>PMID:36261130</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 7nwb" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Hillig RC]]

OCA at 06:30, 21 April 2021

OCA — Wed, 21 Apr 2021 06:30:00 GMT

←Older revision		Revision as of 06:30, 21 April 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7nwb is ON HOLD	+	The entry 7nwb is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7nwb" [edit=sysop:move=sysop]

OCA — Wed, 24 Mar 2021 05:41:21 GMT

Protected "7nwb" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:41, 24 March 2021

OCA: New page: '''Unreleased structure''' The entry 7nwb is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 24 Mar 2021 05:41:20 GMT

New page: '''Unreleased structure''' The entry 7nwb is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7nwb is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]