EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
ジャーナル・号・ページ	J. Med. Chem., Vol. 58, Page 7140-7163, Year 2015
掲載日	2015年6月8日 (構造データの登録日)
著者	Bertrand, S.M. / Ancellin, N. / Beaufils, B. / Bingham, R.P. / Borthwick, J.A. / Boullay, A.B. / Boursier, E. / Carter, P.S. / Chung, C.W. / Churcher, I. ...Bertrand, S.M. / Ancellin, N. / Beaufils, B. / Bingham, R.P. / Borthwick, J.A. / Boullay, A.B. / Boursier, E. / Carter, P.S. / Chung, C.W. / Churcher, I. / Dodic, N. / Fouchet, M.H. / Fournier, C. / Francis, P.L. / Gummer, L.A. / Herry, K. / Hobbs, A. / Hobbs, C.I. / Homes, P. / Jamieson, C. / Nicodeme, E. / Pickett, S.D. / Reid, I.H. / Simpson, G.L. / Sloan, L.A. / Smith, S.E. / Somers, D.O. / Spitzfaden, C. / Suckling, C.J. / Valko, K. / Washio, Y. / Young, R.J.
リンク	J. Med. Chem. / PubMed:26090771
手法	X線回折
解像度	1.703 - 2.2 Å
構造データ	PDB-5bwr: X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP. 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5bwt: X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP. 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5bwu: X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. 手法: X-RAY DIFFRACTION / 解像度: 2.17 Å PDB-5bwv: X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-5bww: X-RAY CRYSTAL STRUCTURE AT 1.82A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRROLIDINE AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-5bwx: X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. 手法: X-RAY DIFFRACTION / 解像度: 1.703 Å
化合物	ChemComp-PLP: PYRIDOXAL-5'-PHOSPHATE / ピリドキサ-ル5′-りん酸 ChemComp-4VT: 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile / 5-ベンジル-7-オキソ-4,7-ジヒドロピラゾロ[1,5-a]ピリミジン-3-カルボニトリル ChemComp-CL: Unknown entry / クロリド ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER ChemComp-4VS: 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile / 2-メチル-5-エチル-7-オキソ-4,7-ジヒドロピラゾロ[1,5-a]ピリミジン-3-カルボニトリル ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-4VR: 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one ChemComp-775: 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile / 2-(4-クロロベンジルアミノ)-5-プロピル-7-オキソ-4,7-ジヒドロピラゾロ[1,5-a]ピリミジン-3-カル(以下略) ChemComp-4W6: 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-4W4*: 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / FOLD TYPE IV