PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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6YKW	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11h 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKK	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 15 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.236 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKV	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11g 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKO	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKS	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11d 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKT	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11e 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKL	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11k 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
6YKU	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11f 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, Strelkov, S.V, Weeks, S.D. 登録日 2020-04-06 公開日 2020-12-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
4GE7	Kynurenine Aminotransferase II Inhibitors 分子名称: (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial 著者 Pandit, J. 登録日 2012-08-01 公開日 2012-11-07 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
4GE4	Kynurenine Aminotransferase II Inhibitors 分子名称: (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial 著者 Pandit, J. 登録日 2012-08-01 公開日 2012-11-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
4GDY	Kynurenine Aminotransferase II inhibitors 分子名称: (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial 著者 Pandit, J. 登録日 2012-08-01 公開日 2012-08-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics MEDCHEMCOMM, 2012
4GE9	Kynurenine Aminotransferase II Inhibitors 分子名称: (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial 著者 Pandit, J. 登録日 2012-08-01 公開日 2012-11-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
6Q8A	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine 分子名称: 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2018-12-14 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
6Q89	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Leucyl)-Sulfamoyl)Adenosine 分子名称: 1,2-ETHANEDIOL, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2018-12-14 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
6Q8C	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine 分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine, Leucine--tRNA ligase, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2018-12-14 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
6Q8B	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)N3-methyluridine 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2018-12-14 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
4FA6	Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR 分子名称: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 著者 Pannifer, A, Greasley, S.E. 登録日 2012-05-21 公開日 2013-04-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR Bioorg.Med.Chem.Lett., 22, 2012
2NOM	Terminal uridylyl transferase 4 from Trypanosoma brucei with bound dUTP 分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA uridylyl transferase 著者 Luecke, H, Stagno, J. 登録日 2006-10-25 公開日 2007-02-20 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 UTP-bound and Apo Structures of a Minimal RNA Uridylyltransferase. J.Mol.Biol., 366, 2007
9EUD	The FK1 domain of FKBP51 in complex with SAFit-analog 23c 分子名称: (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 著者 Meyners, C, Buffa, V, Hausch, F. 登録日 2024-03-27 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.022 Å) 主引用文献 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
1C74	Structure of the double mutant (K53,56M) of phospholipase A2 分子名称: CALCIUM ION, PHOSPHOLIPASE A2 著者 Sekar, K, Tsai, M.D, Jain, M.K, Ramakumar, S. 登録日 2000-01-22 公開日 2000-07-22 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of the anionic interface preference and k*cat activation of pancreatic phospholipase A2. Biochemistry, 39, 2000
2P7U	The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777 分子名称: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE 著者 Brinen, L.S, Marion, R. 登録日 2007-03-20 公開日 2008-03-25 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Vinyl sulfones as antiparasitic agents and a structural basis for drug design. J.Biol.Chem., 284, 2009
4G7W	Crystal structure of the N-terminal domain of the minor coat protein pIII from CTXphi 分子名称: Putative uncharacterized protein 著者 Kolappan, S, Ford, C.G, Craig, L. 登録日 2012-07-20 公開日 2012-08-29 最終更新日 2012-11-07 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal Structures of a CTX{varphi} pIII Domain Unbound and in Complex with a Vibrio cholerae TolA Domain Reveal Novel Interaction Interfaces. J.Biol.Chem., 287, 2012
4H0J	Mutant M58C of Nostoc sp Cytochrome c6 分子名称: Cytochrome c6, HEME C 著者 Pannu, N.S, Skubak, P, Ubbink, M, Cavazzini, D, Rossi, G.L. 登録日 2012-09-08 公開日 2013-09-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy Biochim.Biophys.Acta, 1837, 2014
4H0K	Mutant m58h of Nostoc sp cytochrome c6 分子名称: Cytochrome c6, HEME C 著者 Pannu, N.S, Skubak, P, Cavazzini, D, Rossi, G.L, Ubbink, M. 登録日 2012-09-08 公開日 2013-09-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy Biochim.Biophys.Acta, 1837, 2014
3JQD	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7) 分子名称: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Tulloch, L.B, Hunter, W.N. 登録日 2009-09-06 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010

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