7C49
| nicA2 with cofactor FAD and substrate nicotine | 分子名称: | 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Xu, P, Zhang, K. | 登録日 | 2020-05-15 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022). Mbio, 11, 2020
|
|
3CBB
| Crystal Structure of Hepatocyte Nuclear Factor 4alpha in complex with DNA: Diabetes Gene Product | 分子名称: | Hepatocyte Nuclear Factor 4-alpha promoter element DNA, Hepatocyte Nuclear Factor 4-alpha, DNA binding domain, ... | 著者 | Lu, P, Rha, G.B, Melikishvili, M, Adkins, B.C, Fried, M.G, Chi, Y.I. | 登録日 | 2008-02-21 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis of natural promoter recognition by a unique nuclear receptor, HNF4alpha. Diabetes gene product. J.Biol.Chem., 283, 2008
|
|
5TPA
| Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | 分子名称: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-10-20 | 公開日 | 2016-11-30 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
|
|
5TP9
| Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | 分子名称: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-10-20 | 公開日 | 2016-11-30 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
|
|
6U7S
| |
6U7W
| NMR solution structure of a triazole bridged KLK7 inhibitor | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-LYS-ALA-LEU-PHE-SER-ASN-PRO-PRO-ILE-ALA-PHE-PRO-ASN | 著者 | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U22
| Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin | 分子名称: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | 著者 | White, A.M, King, G.J, Durek, T, Craik, D.J. | 登録日 | 2019-08-19 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U7X
| NMR solution structure of triazole bridged plasmin inhibitor | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP | 著者 | White, A.M, Harvey, P.J, Wang, C.K, Durek, T, Craik, D.J. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6VBN
| Crystal Structure of hTDO2 bound to inhibitor GNE1 | 分子名称: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | 著者 | Harris, S.F, Oh, A. | 登録日 | 2019-12-19 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Acs Med.Chem.Lett., 11, 2020
|
|
6U7R
| |
6U7Q
| |
6U24
| NMR solution structure of triazole bridged SFTI-1 | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ILE-ALA-PHE-PRO-ASP | 著者 | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2019-08-19 | 公開日 | 2020-07-01 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6U7U
| NMR solution structure of triazole bridged matriptase inhibitor | 分子名称: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP | 著者 | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2020-07-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6VY8
| |
8WNG
| Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | 分子名称: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-05 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WNF
| Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in apo form | 分子名称: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-05 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WNI
| Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
8WNJ
| Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile-AMP | 分子名称: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | 著者 | Guo, Y, Li, S, Zhang, T. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
|
|
3P9U
| Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein | 著者 | Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y. | 登録日 | 2010-10-18 | 公開日 | 2011-04-27 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution. Proteins, 79, 2011
|
|
6AGI
| Crystal Structure of EFHA2 in Ca-binding State | 分子名称: | CALCIUM ION, Calcium uptake protein 3, mitochondrial, ... | 著者 | Yangfei, X, Xue, Y, Yuequan, S. | 登録日 | 2018-08-11 | 公開日 | 2019-01-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter. Cell Rep, 26, 2019
|
|
7SLS
| HIV Reverse Transcriptase with compound Pyr02 | 分子名称: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | 著者 | Klein, D.J, Zebisch, M, Gu, M. | 登録日 | 2021-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.078 Å) | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
|
|
7SLR
| HIV Reverse Transcriptase with compound Pyr01 | 分子名称: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | 著者 | Klein, D.J, Zebisch, M, Gu, M. | 登録日 | 2021-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.179 Å) | 主引用文献 | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
|
|
7TAI
| Structure of STEAP2 in complex with ligands | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Wang, L, Chen, K.H, Zhou, M. | 登録日 | 2021-12-20 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2. Elife, 12, 2023
|
|
6CCW
| |
8JVA
| Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ... | 著者 | Liu, B, Liu, H.H, Han, P, Qi, J.X. | 登録日 | 2023-06-28 | 公開日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | 主引用文献 | Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain. Signal Transduct Target Ther, 9, 2024
|
|