6S41

CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455

Summary for 6S41

Entry DOI	10.2210/pdb6s41/pdb
Descriptor	Nuclear receptor subfamily 1 group I member 2, 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide (3 entities in total)
Functional Keywords	pregnane x receptor, nuclear receptor, nuclear protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	74514.62
Authors	Focken, T.,Maskos, K.,Griessner, A.,Krapp, S. (deposition date: 2019-06-26, release date: 2019-10-02, Last modification date: 2024-05-15)
Primary citation	Focken, T.,Burford, K.,Grimwood, M.E.,Zenova, A.,Andrez, J.C.,Gong, W.,Wilson, M.,Taron, M.,Decker, S.,Lofstrand, V.,Chowdhury, S.,Shuart, N.,Lin, S.,Goodchild, S.J.,Young, C.,Soriano, M.,Tari, P.K.,Waldbrook, M.,Nelkenbrecher, K.,Kwan, R.,Lindgren, A.,de Boer, G.,Lee, S.,Sojo, L.,DeVita, R.J.,Cohen, C.J.,Wesolowski, S.S.,Johnson Jr., J.P.,Dehnhardt, C.M.,Empfield, J.R. Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62:9618-9641, 2019 Cited by PubMed: 31525968 DOI: 10.1021/acs.jmedchem.9b01032 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation