Summary for 6Z1Q
Entry DOI | 10.2210/pdb6z1q/pdb |
Descriptor | Mitogen-activated protein kinase kinase kinase 14, DesF-3R/4076 (3 entities in total) |
Functional Keywords | free energy perturbation, lead optimization, multiple myeloma, nik, jnj64290694, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 78521.63 |
Authors | Jacoby, E.,van Vlijmen, H.,Querolle, O.,Stansfield, I.,Meerpoel, L.,Versele, M.,Hynd, G.,Attar, R. (deposition date: 2020-05-14, release date: 2020-07-08, Last modification date: 2024-01-24) |
Primary citation | Jacoby, E.,Vlijmen, H.V.,Querolle, O.,Stansfield, I.,Meerpoel, L.,Versele, M.,Hynd, G.,Attar, R. FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2:-, 2020 Cited by DOI: 10.4155/fdd-2020-0004PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.42 Å) |
Structure validation
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