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	Optimizing the Antibiotic Potency and Metabolic Stability of Pyridomycin Using a Semisynthetic Approach.
ジャーナル・号・ページ	J. Med. Chem., Vol. 69, Page 2496-2508, Year 2026
掲載日	2025年6月12日 (構造データの登録日)
著者	Valderrama, K. / Horlacher, O. / Publicola, G. / Eisenring, P. / Kienle, M. / Boarbi, S. / Kiass, M. / Kordulakova, J. / Chatagnon, J. / Piveteau, C. ...Valderrama, K. / Horlacher, O. / Publicola, G. / Eisenring, P. / Kienle, M. / Boarbi, S. / Kiass, M. / Kordulakova, J. / Chatagnon, J. / Piveteau, C. / Leroux, F. / Savkova, K. / Zahorszka, M. / Cantrelle, F.X. / Lherbet, C. / Mourey, L. / Mikusova, K. / Mathys, V. / Aichholz, R. / Maveyraud, L. / Altmann, K.H. / Hartkoorn, R.C.
リンク	J. Med. Chem. / PubMed:41591406
手法	X線回折
解像度	1.658 - 2.497 Å
構造データ	PDB-9rjg: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin (compound 1) 手法: X-RAY DIFFRACTION / 解像度: 1.711 Å PDB-9rjh: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV26a (compound 4) 手法: X-RAY DIFFRACTION / 解像度: 1.712 Å PDB-9rji: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV29a (compound 5) 手法: X-RAY DIFFRACTION / 解像度: 1.766 Å PDB-9rjj: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV37a (compound 9) 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-9rjk: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV41a (compound 11) 手法: X-RAY DIFFRACTION / 解像度: 1.658 Å PDB-9rjl: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV35a (compound 12) 手法: X-RAY DIFFRACTION / 解像度: 1.699 Å PDB-9rjm: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative EP196 (compound 13) 手法: X-RAY DIFFRACTION / 解像度: 1.986 Å PDB-9rjn: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV32a (compound 14) 手法: X-RAY DIFFRACTION / 解像度: 2.497 Å PDB-9rjp: Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV25a (compound 15) 手法: X-RAY DIFFRACTION / 解像度: 2.145 Å
化合物	ChemComp-PYW: Pyridomycin ChemComp-PGE: TRIETHYLENE GLYCOL ChemComp-HOH: WATER PDB-1jgw: Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Leu PDB-1jg1: Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-ADENOSYL-L-HOMOCYSTEINE PDB-1jg0: Crystal structure of Escherichia coli thymidylate synthase complexed with 2'-deoxyuridine-5'-monophosphate and N,O-didansyl-L-tyrosine PDB-1jg3: Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate ChemComp-PEG: DI(HYDROXYETHYL)ETHER PDB-1jgy: Photosynthetic Reaction Center Mutant With Tyr M 76 Replaced With Phe PDB-1jgx: Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Asp PDB-1jgz: Photosynthetic Reaction Center Mutant With Tyr M 76 Replaced With Lys PDB-1jg2: Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine
由来	mycobacterium tuberculosis (結核菌) mycobacterium tuberculosis '98-r604 inh-rif-em' (結核菌)
キーワード	OXIDOREDUCTASE / InhA mycobacterium tuberculosis pyridomycin complex inhibitor / InhA mycobacterium tuberculosis pyridomycin derivative KV26a complex inhibitor / InhA mycobacterium tuberculosis pyridomycin derivative KV29a complex inhibitor / InhA mycobacterium tuberculosis pyridomycin derivative complex inhibitor