8V42

Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400

Summary for 8V42

Entry DOI	10.2210/pdb8v42/pdb
Descriptor	Serine/threonine-protein kinase VRK1, DI(HYDROXYETHYL)ETHER, (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ... (5 entities in total)
Functional Keywords	protein kinase, inhibitor, co-crystal, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	4
Total formula weight	165895.62
Authors	Counago, R.M.,de Souza, G.P.,Azevedo, A.,Guimaraes, C.,Mascarello, A.,Gama, F.,Ferreira, M.,Arruda, P. (deposition date: 2023-11-28, release date: 2024-09-04)
Primary citation	de Souza Gama, F.H.,Dutra, L.A.,Hawgood, M.,Dos Reis, C.V.,Serafim, R.A.M.,Ferreira Jr., M.A.,Teodoro, B.V.M.,Takarada, J.E.,Santiago, A.S.,Balourdas, D.I.,Nilsson, A.S.,Urien, B.,Almeida, V.M.,Gileadi, C.,Ramos, P.Z.,Salmazo, A.,Vasconcelos, S.N.S.,Cunha, M.R.,Mueller, S.,Knapp, S.,Massirer, K.B.,Elkins, J.M.,Gileadi, O.,Mascarello, A.,Lemmens, B.B.L.G.,Guimaraes, C.R.W.,Azevedo, H.,Counago, R.M. Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1 delta / epsilon. J.Med.Chem., 67:8609-8629, 2024 Cited by PubMed: 38780468 DOI: 10.1021/acs.jmedchem.3c02250 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation