PDB ID: 6DML
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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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 |
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Download interaction data: 6DML
Structure summary
Code : | 6DML PDBj RCSB PDB PDBe | ||||||||||||
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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 : |
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Authors : | Hudson, B.M., van Zundert, G., Keedy, D., 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.
PubMed: 30457858 Naphthyridines as novel BET family bromodomain inhibitors.
Mirguet, O.,Lamotte, Y.,Chung, C.W.
et al.
PubMed: 24000170 |
Reaction
Chain : | A |
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UniProt : | O60885 (BRD4_HUMAN) |
Reaction : | - |