6Z1Q

MAP3K14 (NIK) in complex with DesF-3R/4076

This is a non-PDB format compatible entry.

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; DOI: 10.4155/fdd-2020-0004

Experimental method

X-RAY DIFFRACTION (2.42 Å)