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Ligands
Code Name Link
9UA 1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-C]pyridin-5-yl}ethan-1-one
DMS Dimethyl sulfoxide
GOL Glycerol
Code : 5W0I   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridin-5-yl)ethan-1-one)
Release Data : 2018-03-07
Compound :
mol_id molecule chains
1 CREB-binding protein A
ec: 2.3.1.48
fragment: Bromodomain, UNP residues 1083-1198
Source :
mol_id organism_scientific organism_common expression_system
1 Mus musculus  (taxid:10090) Mouse Escherichia coli  (taxid:562)
gene: Crebbp, Cbp
Authors : Murray, J.M.
Keywords : CREBBP, Bromodomain, small molecule inhibitor, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.4300 Å )
Citation :

GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).

Romero, F.A.,Murray, J.,Lai, K.W.  et al.
(2017)  J. Med. Chem.  60 : 9162 - 9183

PubMed: 28892380
DOI: 10.1021/acs.jmedchem.7b00796

Chain : A
UniProt : P45481 (CBP_MOUSE)
Reaction : Reaction=acetyl-CoA + L-lysyl-[histone] = CoA + H(+) + N(6)-acetyl-L- lysyl-[histone]; Xref=Rhea:RHEA:21992, Rhea:RHEA-COMP:9845, Rhea:RHEA-COMP:11338, ChEBI:CHEBI:15378, ChEBI:CHEBI:29969, ChEBI:CHEBI:57287, ChEBI:CHEBI:57288, ChEBI:CHEBI:61930; EC=2.3.1.48; Evidence={ECO:0000250|UniProtKB:Q92793};
Reaction=acetyl-CoA + L-lysyl-[protein] = CoA + H(+) + N(6)-acetyl-L- lysyl-[protein]; Xref=Rhea:RHEA:45948, Rhea:RHEA-COMP:9752, Rhea:RHEA-COMP:10731, ChEBI:CHEBI:15378, ChEBI:CHEBI:29969, ChEBI:CHEBI:57287, ChEBI:CHEBI:57288, ChEBI:CHEBI:61930; Evidence={ECO:0000269|PubMed:15220471};