| タイトル | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. |
|---|
| ジャーナル・号・ページ | Sci Rep, Vol. 12, Page 18633-18633, Year 2022 |
|---|
| 掲載日 | 2022年5月19日 (構造データの登録日) |
|---|
 著者 | Pierrat, O.A. / Liu, M. / Collie, G.W. / Shetty, K. / Rodrigues, M.J. / Le Bihan, Y.V. / Gunnell, E.A. / McAndrew, P.C. / Stubbs, M. / Rowlands, M.G. ...Pierrat, O.A. / Liu, M. / Collie, G.W. / Shetty, K. / Rodrigues, M.J. / Le Bihan, Y.V. / Gunnell, E.A. / McAndrew, P.C. / Stubbs, M. / Rowlands, M.G. / Yahya, N. / Shehu, E. / Talbot, R. / Pickard, L. / Bellenie, B.R. / Cheung, K.J. / Drouin, L. / Innocenti, P. / Woodward, H. / Davis, O.A. / Lloyd, M.G. / Varela, A. / Huckvale, R. / Broccatelli, F. / Carter, M. / Galiwango, D. / Hayes, A. / Raynaud, F.I. / Bryant, C. / Whittaker, S. / Rossanese, O.W. / Hoelder, S. / Burke, R. / van Montfort, R.L.M. |
|---|
 リンク | Sci Rep / PubMed:36329085 |
|---|
| 手法 | X線回折 |
|---|
| 解像度 | 1.38 - 2.05 Å |
|---|
| 構造データ | PDB-7zwn:
Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide
手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-7zwo:
Crystal structure of human BCL6 BTB domain in complex with compound 2
手法: X-RAY DIFFRACTION / 解像度: 1.39 Å PDB-7zwp:
Crystal structure of human BCL6 BTB domain in complex with compound 7
手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7zwq:
Crystal structure of human BCL6 BTB domain in complex with compound 10
手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7zwr:
Crystal structure of human BCL6 BTB domain in complex with compound 11
手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-7zws:
Crystal structure of human BCL6 BTB domain in complex with compound 13
手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-7zwt:
Crystal structure of human BCL6 BTB domain in complex with compound 14
手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-7zwu:
Crystal structure of human BCL6 BTB domain in complex with compound 15
手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-7zwv:
Crystal structure of human BCL6 BTB domain in complex with compound 17
手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-7zww:
Crystal structure of human BCL6 BTB domain in complex with compound 18
手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-7zwx:
Crystal structure of human BCL6 BTB domain in complex with compound 19
手法: X-RAY DIFFRACTION / 解像度: 1.38 Å PDB-7zwy:
Crystal structure of human BCL6 BTB domain in complex with compound 21
手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-7zwz:
Crystal structure of human BCL6 BTB domain in complex with compound 22
手法: X-RAY DIFFRACTION / 解像度: 1.4 Å |
|---|
| 化合物 | ChemComp-KCB:
(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
ChemComp-K4C:
ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ChemComp-K4O:
~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
ChemComp-K4X:
2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid
ChemComp-K5I:
2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid
ChemComp-K5U:
2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
ChemComp-K8R:
~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
ChemComp-KA9:
1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one
ChemComp-K69:
1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one
ChemComp-KA0:
6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one
ChemComp-K6R:
2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile
ChemComp-K6I:
~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide
|
|---|
| 由来 |  homo sapiens (ヒト)- synthetic construct (人工物)
|
|---|
 キーワード | TRANSCRIPTION / Inhibitor / Cancer |
|---|
ムービー
コントローラー
構造ビューア
万見文献について
