GPN Npa3 and Gpn1 protein models docked with RNA pol II subunits and FDA approved small molecules
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The Npa3 and Gpn1 input structures used in the docking experiments, the structure of laurate and the redocked complex, the FDA library in mol2 format, and the top 5 ranked complexes resulting from flexible and docking assays are available. These structures are associated with the manuscript Proposal of chemical inhibitors that compete with the binding of RNA polymerase II subunits to essential GTPases GPN Npa3 and Gpn1 Julio A. Muñiz-Lunaa, Ángel Santiagoc, Gema R. Cristóbal-Mondragónd, Mónica R. Caleraa*, Roberto Sánchez-Oleaa*and Nina Pastorb*. aInstituto de Física, Universidad Autónoma de San Luis Potosí, Av. Parque Chapultepec 1570, Privadas del Pedregal, C.P. 78295 San Luis Potosí, SLP, México. bCentro de Investigación en Dinámica Celular-IICBA, Universidad Autónoma del Estado de Morelos, Cuernavaca, Mor., México. cDepartamento de Salud Perinatal, Instituto Nacional de Salud Pública. Cuernavaca, Mor., México. dFacultad de Medicina, Universidad Nacional Autónoma de México, CDMX, México. Email: mcalera@ifisica.uaslp.mx, rsanchez@ifisica.uaslp.mx, nina@uaem.mx
