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	Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 62, Page 5025-5039, Year 2019
掲載日	2019年1月7日 (構造データの登録日)
著者	Heinrich, T. / Seenisamy, J. / Blume, B. / Bomke, J. / Calderini, M. / Eckert, U. / Friese-Hamim, M. / Kohl, R. / Lehmann, M. / Leuthner, B. ...Heinrich, T. / Seenisamy, J. / Blume, B. / Bomke, J. / Calderini, M. / Eckert, U. / Friese-Hamim, M. / Kohl, R. / Lehmann, M. / Leuthner, B. / Musil, D. / Rohdich, F. / Zenke, F.T.
リンク	J. Med. Chem. / PubMed:30939017
手法	X線回折
解像度	1.62 - 2.17 Å
構造データ	PDB-6qed: CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6qef: CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-phenyl-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-6qeg: CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 2-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (2-thiophen-2-yl-ethyl)-amide 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-6qeh: CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5-Chloro-quinolin-8-ol 手法: X-RAY DIFFRACTION / 解像度: 2.17 Å PDB-6qei: CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5,6-Difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)-1H-indole-2-carboxylic acid amide 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6qej: CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR Thiophene-2-sulfonic acid (4-fluoro-benzyl)-(4H-[1,2,4]triazol-3-ylmethyl)-amide 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å
化合物	ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HZK: (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide ChemComp-MN: Unknown entry ChemComp-HOH: WATER ChemComp-HZW: (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide ChemComp-K4K: (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide ChemComp-HZQ: 5-chloranylquinolin-8-ol / 5-クロロ-8-キノリノ-ル ChemComp-HZE: 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide ChemComp-HZT: ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide ChemComp-TBU*: TERTIARY-BUTYL ALCOHOL / tert-ブタノ-ル
由来	homo sapiens (ヒト)
キーワード	HYDROLASE / PEPTIDASE / METAL ION BINDING / PROTEOLYSIS / HYDROLASE-HYDROLASE INHIBITOR COMPLEX