タイトル | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 54, Page 3989-, Year 2011 |
---|
掲載日 | 2011年3月25日 (構造データの登録日) |
---|
著者 | Roughley, S.D. / Hubbard, R.E. |
---|
リンク | J. Med. Chem. / PubMed:21561141 |
---|
手法 | X線回折 |
---|
解像度 | 1.55 - 2.56 Å |
---|
構造データ | PDB-2ye2: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-2ye3: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-2ye4: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2ye5: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-2ye6: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.56 Å PDB-2ye7: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2ye8: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2ye9: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2yea: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-2yeb: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-2yec: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2yed: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2yee: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-2yef: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2yeg: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2yeh: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2yei: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2yej: HSP90 inhibitors and drugs from fragment and virtual screening 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
---|
化合物 | ChemComp-2GA: 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE
ChemComp-2D3: METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
ChemComp-2D4: N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE
ChemComp-ANP: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP / AMP-PNP, エネルギー貯蔵分子類似体*YM
ChemComp-XQK: METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
|
---|
由来 | homo sapiens (ヒト)
|
---|
キーワード | CHAPERONE / PU3 / ATPASE / STRESS RESPONSE / NUCLEOTIDE-BINDING / ATP-BINDING / PHOSPHOPROTEIN / PHOSPHORYLATION |
---|