6YKG

Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease

This is a non-PDB format compatible entry.

Summary for 6YKG

• Entry DOI: 10.2210/pdb6ykg/pdb
• Descriptor: Phosphatidylinositol 3-kinase catalytic subunit type 3, 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one (3 entities in total)
• Functional Keywords: huntingtons disease; vps34, atm, lyase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 72932.21

Authors

Van de Poel, A.,Leonard, P.M.,Lamers, M.B.A.C. (deposition date: 2020-04-06, release date: 2021-04-14, Last modification date: 2024-01-24)

• Primary citation: Van de Poel, A.,Toledo-Sherman, L.,Breccia, P.,Cachope, R.,Bate, J.R.,Angulo-Herrera, I.,Wishart, G.,Matthews, K.L.,Martin, S.L.,Peacock, M.,Barnard, A.,Cox, H.C.,Jones, G.,McAllister, G.,Vater, H.,Esmieu, W.,Clissold, C.,Lamers, M.,Leonard, P.,Jarvis, R.E.,Blackaby, W.,Eznarriaga, M.,Lazari, O.,Yates, D.,Rose, M.,Jang, S.W.,Munoz-Sanjuan, I.,Dominguez, C.; Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.; J.Med.Chem., 64:5018-5036, 2021; PubMed: 33783225; DOI: 10.1021/acs.jmedchem.1c00114

Experimental method

X-RAY DIFFRACTION (3.12 Å)