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)

• 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; DOI: 10.1038/s42004-020-00367-0

Experimental method

X-RAY DIFFRACTION (1.165 Å)