タイトル | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 54, Page 7784-7796, Year 2011 |
---|
掲載日 | 2010年10月20日 (構造データの登録日) |
---|
著者 | Koster, H. / Craan, T. / Brass, S. / Herhaus, C. / Zentgraf, M. / Neumann, L. / Heine, A. / Klebe, G. |
---|
リンク | J. Med. Chem. / PubMed:21972967 |
---|
手法 | X線回折 |
---|
解像度 | 1.25 - 1.9 Å |
---|
構造データ | PDB-3pb5: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-3pbd: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3pbz: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-3pcw: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å PDB-3pgi: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-3pi0: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-3pld: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-3pll: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-3pm4: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-3pmu: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-3pmy: Endothiapepsin in complex with a fragment 手法: X-RAY DIFFRACTION / 解像度: 1.38 Å |
---|
化合物 | ChemComp-F63: N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine
ChemComp-F41: N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
ChemComp-F91: N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
ChemComp-F5N: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide
ChemComp-F7L: (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
ChemComp-41L: N-(1H-benzimidazol-1-yl)-2-phenylacetamide
|
---|
由来 | - cryphonectria parasitica (菌類)
|
---|
キーワード | HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex |
---|