4D2T

Structure of MELK in complex with inhibitors

Summary for 4D2T

• Entry DOI: 10.2210/pdb4d2t/pdb
• Related: 4D2P 4D2V 4D2W 4UMP 4UMQ 4UMR
• Descriptor: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium (3 entities in total)
• Functional Keywords: transferase, fragment based drug design, kinase
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Cell membrane ; Peripheral membrane protein : Q14680
• Total number of polymer chains: 4
• Total formula weight: 164854.68

Authors

Johnson, C.N.,Berdini, V.,Beke, L.,Bonnet, P.,Brehmer, D.,Coyle, J.E.,Day, P.J.,Frederickson, M.,Freyne, E.J.E.,Gilissen, R.A.H.J.,Hamlett, C.C.F.,Howard, S.,Meerpoel, L.,McMenamin, R.,Patel, S.,Rees, D.C.,Sharff, A.,Sommen, F.,Wu, T.,Linders, J.T.M. (deposition date: 2014-05-13, release date: 2014-10-15, Last modification date: 2018-04-04)

• Primary citation: Johnson, C.N.,Berdini, V.,Beke, L.,Bonnet, P.,Brehmer, D.,Coyle, J.E.,Day, P.J.,Frederickson, M.,Freyne, E.J.E.,Gilissen, R.A.H.J.,Hamlett, C.C.F.,Howard, S.,Meerpoel, L.,Mcmenamin, R.,Patel, S.,Rees, D.C.,Sharff, A.,Sommen, F.,Wu, T.,Linders, J.T.M.; Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase; Acs Med.Chem.Lett., 6:25-, 2015; PubMed: 25589925; DOI: 10.1021/ML5001245

Experimental method

X-RAY DIFFRACTION (2.7 Å)