3OOK
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Summary for 3OOK
Entry DOI | 10.2210/pdb3ook/pdb |
Related | 3OKH 3OKI 3OLF 3OMK 3OMM 3OOF |
Descriptor | Bile acid receptor, peptide of Nuclear receptor coactivator 1, 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid, ... (4 entities in total) |
Functional Keywords | nuclear receptor, cholesterol, bile acid, dna-binding, nucleus, receptor, transcription, ligand binding domain transcription regulation, coactivator, fxr alternative splicing, hormone receptor |
Biological source | Homo sapiens (human) More |
Cellular location | Nucleus (Probable): Q96RI1 Nucleus (By similarity): Q15788 |
Total number of polymer chains | 4 |
Total formula weight | 58900.31 |
Authors | Rudolph, M.G. (deposition date: 2010-08-31, release date: 2011-01-19, Last modification date: 2024-04-03) |
Primary citation | Richter, H.G.F.,Benson, G.M.,Bleicher, K.H.,Blum, D.,Chaput, E.,Clemann, N.,Feng, S.,Gardes, C.,Grether, U.,Hartman, P.,Kuhn, B.,Martin, R.E.,Plancher, J.M.,Rudolph, M.G.,Schuler, F.,Taylor, S. Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties Bioorg.Med.Chem.Lett., 21:1134-1140, 2011 Cited by PubMed: 21269824DOI: 10.1016/j.bmcl.2010.12.123 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.29 Å) |
Structure validation
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