6TN5
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
This is a non-PDB format compatible entry.
Summary for 6TN5
Entry DOI | 10.2210/pdb6tn5/pdb |
Descriptor | Heat shock protein HSP 90-alpha, ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide, CHLORIDE ION, ... (4 entities in total) |
Functional Keywords | off-rate screening, pdhk, hsp90, spr, kinase inhibitors, fragment screening, cancer, pdk2, transferase, chaperone |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 26247.85 |
Authors | Baker, L.M.,Aimon, A.,Murray, J.B.,Surgenor, A.E.,Matassova, N.,Roughley, S.D.,von Delft, F.,Hubbard, R.E. (deposition date: 2019-12-05, release date: 2020-10-14, Last modification date: 2024-05-15) |
Primary citation | Baker, L.M.,Aimon, A.,Murray, J.B.,Surgenor, A.E.,Matassova, N.,Roughley, S.D.,Collins, P.M.,Krojer, T.,von Delft, F.,Hubbard, R.E. Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020 Cited by DOI: 10.1038/s42004-020-00367-0PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.165 Å) |
Structure validation
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