6I3U

Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models

Summary for 6I3U

Entry DOI	10.2210/pdb6i3u/pdb
Descriptor	Phosphatidylinositol 3-kinase catalytic subunit type 3, 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one (3 entities in total)
Functional Keywords	atm surrogate, vps34, kinase, huntington's disease, lyase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	70641.74
Authors	Leonard, P.M. (deposition date: 2018-11-07, release date: 2019-03-20, Last modification date: 2024-01-24)
Primary citation	Toledo-Sherman, L.,Breccia, P.,Cachope, R.,Bate, J.R.,Angulo-Herrera, I.,Wishart, G.,Matthews, K.L.,Martin, S.L.,Cox, H.C.,McAllister, G.,Penrose, S.D.,Vater, H.,Esmieu, W.,Van de Poel, A.,Van de Bospoort, R.,Strijbosch, A.,Lamers, M.,Leonard, P.,Jarvis, R.E.,Blackaby, W.,Barnes, K.,Eznarriaga, M.,Dowler, S.,Smith, G.D.,Fischer, D.F.,Lazari, O.,Yates, D.,Rose, M.,Jang, S.W.,Munoz-Sanjuan, I.,Dominguez, C. Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models. J.Med.Chem., 62:2988-3008, 2019 Cited by PubMed: 30840447 DOI: 10.1021/acs.jmedchem.8b01819 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.09 Å)

Structure validation