Brand  (β version)

PDB ID: 4E96

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Ligands
Code Name Style Show Link
0NS 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide PoSSuM
DMS Dimethyl sulfoxide PoSSuM
EDO 1,2-ethanediol PoSSuM
NA Sodium ion PoSSuM
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Structure summary

Code : 4E96   PDBj   RCSB PDB   PDBe
Header : PROTEIN BINDING/INHIBITOR
Title : Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1
Release Data : 2012-04-18
Compound :
mol_id molecule chains synonym
1 Bromodomain-containing protein 4 A Protein HUNK1
fragment: UNP residues 44-168
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: BRD4, HUNK1
expression_system_strain: BL21(DE3)-R3
expression_system_vector_type: Plasmid
expression_system_plasmid: pNIC28-Bsa4
Authors : Filippakopoulos, P., Picaud, S., Felletar, I., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Fish, P., Bunnage, M., Owen, D., Knapp, S., Cook, A., Structural Genomics Consortium (SGC)
Keywords : BROMODOMAIN, CAP, HUNK1, MCAP, MITOTIC CHROMOSOME ASSOCIATED PROTEIN, JQ1, BETSOFF1, STRUCTURAL GENOMICS CONSORTIUM, SGC, CELL CYCLE, PROTEIN BINDING-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.9200 Å )
Citation :

Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.

Fish, P.V.,Filippakopoulos, P.,Bish, G.  et al.
(2012)  J.Med.Chem.  55 : 9831 - 9837

PubMed: 23095041
DOI: 10.1021/jm3010515

Reaction

Chain : A
UniProt : O60885 (BRD4_HUMAN)
Reaction : -