4FCR
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
4FCR の概要
エントリーDOI | 10.2210/pdb4fcr/pdb |
関連するPDBエントリー | 4FCP 4FCQ |
分子名称 | Heat shock protein HSP 90-alpha, 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide (3 entities in total) |
機能のキーワード | heat shock protein, hsp90, atpase, fragments, structure-based design, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor |
由来する生物種 | Homo sapiens (human) |
細胞内の位置 | Cytoplasm: P07900 |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 27033.67 |
構造登録者 | Davies, N.G.,Browne, H.,Davis, B.,Foloppe, N.,Geoffrey, S.,Gibbons, B.,Hart, T.,Drysdale, M.J.,Mansell, H.,Massey, A.,Matassova, N.,Moore, J.D.,Murray, J.,Pratt, R.,Ray, S.,Roughley, S.D.,Jensen, M.R.,Schoepfer, J.,Scriven, K.,Simmonite, H.,Stokes, S.,Surgenor, A.,Webb, P.,Wright, L.,Brough, P. (登録日: 2012-05-25, 公開日: 2012-10-24, 最終更新日: 2023-09-13) |
主引用文献 | Davies, N.G.,Browne, H.,Davis, B.,Drysdale, M.J.,Foloppe, N.,Geoffrey, S.,Gibbons, B.,Hart, T.,Hubbard, R.,Jensen, M.R.,Mansell, H.,Massey, A.,Matassova, N.,Moore, J.D.,Murray, J.,Pratt, R.,Ray, S.,Robertson, A.,Roughley, S.D.,Schoepfer, J.,Scriven, K.,Simmonite, H.,Stokes, S.,Surgenor, A.,Webb, P.,Wood, M.,Wright, L.,Brough, P. Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20:6770-6789, 2012 Cited by PubMed: 23018093DOI: 10.1016/j.bmc.2012.08.050 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.698 Å) |
構造検証レポート
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