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	Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
ジャーナル・号・ページ	Cell, Vol. 170, Page 249-259.e25, Year 2017
掲載日	2017年3月8日 (構造データの登録日)
著者	Aggarwal, A. / Parai, M.K. / Shetty, N. / Wallis, D. / Woolhiser, L. / Hastings, C. / Dutta, N.K. / Galaviz, S. / Dhakal, R.C. / Shrestha, R. ...Aggarwal, A. / Parai, M.K. / Shetty, N. / Wallis, D. / Woolhiser, L. / Hastings, C. / Dutta, N.K. / Galaviz, S. / Dhakal, R.C. / Shrestha, R. / Wakabayashi, S. / Walpole, C. / Matthews, D. / Floyd, D. / Scullion, P. / Riley, J. / Epemolu, O. / Norval, S. / Snavely, T. / Robertson, G.T. / Rubin, E.J. / Ioerger, T.R. / Sirgel, F.A. / van der Merwe, R. / van Helden, P.D. / Keller, P. / Bottger, E.C. / Karakousis, P.C. / Lenaerts, A.J. / Sacchettini, J.C.
リンク	Cell / PubMed:28669536
手法	X線回折
解像度	1.723 - 2.051 Å
構造データ	PDB-5v3w: Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13 手法: X-RAY DIFFRACTION / 解像度: 1.723 Å PDB-5v3x: Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1 手法: X-RAY DIFFRACTION / 解像度: 1.936 Å PDB-5v3y: Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-5v3z: Crystal Structure of the D1607N mutant form of Thioesterase domain of Mtb Pks13 手法: X-RAY DIFFRACTION / 解像度: 1.881 Å PDB-5v40: Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM6 手法: X-RAY DIFFRACTION / 解像度: 1.991 Å PDB-5v41: Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM5 手法: X-RAY DIFFRACTION / 解像度: 2.051 Å PDB-5v42: Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3 手法: X-RAY DIFFRACTION / 解像度: 1.987 Å
化合物	ChemComp-2Q5: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol ChemComp-HOH: WATER ChemComp-I28: ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate ChemComp-5V8: 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-1PE: PENTAETHYLENE GLYCOL / ペンタエチレングリコ-ル / 沈殿剤YM ChemComp-JS1: ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate / 2-フェニル-4-[(ジメチルアミノ)メチル]-5-ヒドロキシ-3-ベンゾフランカルボン酸エチル ChemComp-J24: ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate ChemComp-I66*: ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
由来	mycobacterium tuberculosis (結核菌)
キーワード	TRANSFERASE / thioesterase domain / Pks13 / Mycobacterium / polyketide synthase / mycolic acid condensation / TB Structural Genomics Consortium / TBSGC / alpha/beta hydrolase / thioesterase / TRANSFERASE/TRANSFERASE INHIBITOR / TAM1 complex / TRANSFERASE-TRANSFERASE INHIBITOR complex / TAM16 complex / THIOESTERASE-TRANSFERASE INHIBITOR complex / D1607N mutant / TAM6 complex / TAM5 complex / TAM3 complex