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-Structure paper
タイトル | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. |
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ジャーナル・号・ページ | Chemmedchem, Vol. 7, Page 248-261, Year 2012 |
掲載日 | 2010年4月29日 (構造データの登録日) |
![]() | Behnen, J. / Koster, H. / Neudert, G. / Craan, T. / Heine, A. / Klebe, G. |
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手法 | X線回折 |
解像度 | 1.22 - 2.09 Å |
構造データ | ![]() PDB-3ms3: ![]() PDB-3msa: ![]() PDB-3msf: ![]() PDB-3msn: ![]() PDB-3n21: ![]() PDB-3n4a: ![]() PDB-3n9w: ![]() PDB-3nn7: ![]() PDB-3nx8: ![]() PDB-3pcz: ![]() PDB-3prs: ![]() PDB-3pvk: ![]() PDB-3pww: |
化合物 | ![]() ChemComp-ZN: ![]() ChemComp-CA: ![]() ChemComp-ANL: ![]() ChemComp-IPA: ![]() ChemComp-GOL: ![]() ChemComp-DMS: ![]() ChemComp-HOH: ![]() ChemComp-B3R: ![]() ChemComp-URE: ![]() ChemComp-NMU: ![]() ChemComp-PGO: ![]() ChemComp-MN: ![]() ChemComp-CL: ![]() ChemComp-PGR: ![]() ChemComp-BXA: ![]() ChemComp-IPH: ![]() ChemComp-BEN: ![]() ChemComp-RIT: ![]() ChemComp-1PE: ![]() ChemComp-PGE: ![]() ChemComp-MPD: ![]() ChemComp-IMD: ![]() ChemComp-ROC: |
由来 |
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![]() | HYDROLASE / PROTEASE / Aniline / Fragement soaking / Fragment based lead discovery / METALLOPROTEASE / Metal-binding / Secreted / Zymogen / Fragment soaking / 3-Bromophenol / Urea / N-methylurea / S-1 / 2-Propandiol / ISOMERASE / INTRAMOLECULAR OXIDOREDUCTSE / TIM BARREL-BETA-ALPHA-BARRELS / TWO METAL BINDING ITES / Manganese / TRANSFERASE / YGBP / CYTIDYLYLTRANSFERASE / DEOXYXYLULOSE-5-PHOSPHATE PATHWAY (DXP) / ISOPRENOID BIOSYNTHESIS / 1 / 2-Propanediol / FBLD / 2-Bromoacetate / Fragment-based lead discovery / ATP Binding / Phosphorylation / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex |