6H4S

Crystal structure of human KDM4A in complex with compound 16m

Summary for 6H4S

Entry DOI	10.2210/pdb6h4s/pdb
Descriptor	Lysine-specific demethylase 4A, ZINC ION, 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, ... (6 entities in total)
Functional Keywords	histone demethylase, inhibitor, transcription, oxidoreductase
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	170254.25
Authors	Le Bihan, Y.V.,van Montfort, R.L.M. (deposition date: 2018-07-23, release date: 2019-06-12, Last modification date: 2024-01-17)
Primary citation	Le Bihan, Y.V.,Lanigan, R.M.,Atrash, B.,McLaughlin, M.G.,Velupillai, S.,Malcolm, A.G.,England, K.S.,Ruda, G.F.,Mok, N.Y.,Tumber, A.,Tomlin, K.,Saville, H.,Shehu, E.,McAndrew, C.,Carmichael, L.,Bennett, J.M.,Jeganathan, F.,Eve, P.,Donovan, A.,Hayes, A.,Wood, F.,Raynaud, F.I.,Fedorov, O.,Brennan, P.E.,Burke, R.,van Montfort, R.L.M.,Rossanese, O.W.,Blagg, J.,Bavetsias, V. C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177:316-337, 2019 Cited by PubMed: 31158747 DOI: 10.1016/j.ejmech.2019.05.041 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.45 Å)

Structure validation