4AN2
Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.
Summary for 4AN2
Entry DOI | 10.2210/pdb4an2/pdb |
Related | 1S9J 4AN3 4AN9 4ANB |
Descriptor | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... (5 entities in total) |
Functional Keywords | transferase, map2k1, atp-binding, allosteric inhibition |
Biological source | HOMO SAPIENS (HUMAN) |
Cellular location | Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: Q02750 |
Total number of polymer chains | 1 |
Total formula weight | 34675.55 |
Authors | Rice, K.D.,Aay, N.,Anand, N.K.,Blazey, C.M.,Bowles, O.J.,Bussenius, J.,Costanzo, S.,Curtis, J.K.,Defina, S.C.,Dubenko, L.,Engst, S.,Joshi, A.A.,Kennedy, A.R.,Kim, A.I.,Koltun, E.S.,Lougheed, J.C.,Manalo, J.C.L.,Martini, J.F.,Nuss, J.M.,Peto, C.J.,Tsang, T.H.,Yu, P.,Johnston, S. (deposition date: 2012-03-14, release date: 2012-12-19, Last modification date: 2024-05-01) |
Primary citation | Rice, K.D.,Aay, N.,Anand, N.K.,Blazey, C.M.,Bowles, O.J.,Bussenius, J.,Costanzo, S.,Curtis, J.K.,Defina, S.C.,Dubenko, L.,Engst, S.,Joshi, A.A.,Kennedy, A.R.,Kim, A.I.,Koltun, E.S.,Lougheed, J.C.,Manalo, J.C.L.,Martini, J.F.,Nuss, J.M.,Peto, C.J.,Tsang, T.H.,Yu, P.,Johnston, S. Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3:416-, 2012 Cited by PubMed: 24900486DOI: 10.1021/ML300049D PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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