Het-PDB Navi2 (PDB: 6DML)

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Ligands
Code	Name		Style	Show	Link
9BM	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid				PoSSuM
EDO	1,2-ethanediol				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 6DML

Code :

6DML PDBj RCSB PDB PDBe

Header :

transcription/transcription inhibitor

Title :

A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4

Release Data :

2018-12-19

Compound :

mol_id	molecule	chains	synonym
1	Bromodomain-containing protein 4	A	Protein HUNK1

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: BRD4, HUNK1

Authors :

Hudson, B.M., van Zundert, G., Keedy, D.A., Fonseca, R., Heliou, A., Suresh, P., Borrelli, K., Day, T., Fraser, J.S., van den Bedem, H.

Keywords :

Complex, multiconformer model, TRANSCRIPTION, transcription-transcription inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 1.5000 Å )

Citation :

qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.

van Zundert, G.C.P.,Hudson, B.M.,de Oliveira, S.H.P. et al.
(2018) J. Med. Chem. 61 : 11183 - 11198

Naphthyridines as novel BET family bromodomain inhibitors.

Mirguet, O.,Lamotte, Y.,Chung, C.W. et al.
(2014) ChemMedChem 9 : 580 - 589

PDB ID: 6DML