6X9I

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA

Summary for 6X9I

• Entry DOI: 10.2210/pdb6x9i/pdb
• Descriptor: DNA (cytosine-5)-methyltransferase 1, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... (8 entities in total)
• Functional Keywords: epigenetics, dna methyltransferase fold, maintenance methylation, transferase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 3
• Total formula weight: 107002.92

Authors

Pathuri, S.,Horton, J.R.,Cheng, X. (deposition date: 2020-06-02, release date: 2021-07-07, Last modification date: 2023-10-18)

• Primary citation: Pappalardi, M.B.,Keenan, K.,Cockerill, M.,Kellner, W.A.,Stowell, A.,Sherk, C.,Wong, K.,Pathuri, S.,Briand, J.,Steidel, M.,Chapman, P.,Groy, A.,Wiseman, A.K.,McHugh, C.F.,Campobasso, N.,Graves, A.P.,Fairweather, E.,Werner, T.,Raoof, A.,Butlin, R.J.,Rueda, L.,Horton, J.R.,Fosbenner, D.T.,Zhang, C.,Handler, J.L.,Muliaditan, M.,Mebrahtu, M.,Jaworski, J.P.,McNulty, D.E.,Burt, C.,Eberl, H.C.,Taylor, A.N.,Ho, T.,Merrihew, S.,Foley, S.W.,Rutkowska, A.,Li, M.,Romeril, S.P.,Goldberg, K.,Zhang, X.,Kershaw, C.S.,Bantscheff, M.,Jurewicz, A.J.,Minthorn, E.,Grandi, P.,Patel, M.,Benowitz, A.B.,Mohammad, H.P.,Gilmartin, A.G.,Prinjha, R.K.,Ogilvie, D.,Carpenter, C.,Heerding, D.,Baylin, S.B.,Jones, P.A.,Cheng, X.,King, B.W.,Luengo, J.I.,Jordan, A.M.,Waddell, I.,Kruger, R.G.,McCabe, M.T.; Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.; Nat Cancer, 2:1002-1017, 2021; PubMed: 34790902

Experimental method

X-RAY DIFFRACTION (2.2 Å)