7YLA
| Cryo-EM structure of 50S-HflX complex | 分子名称: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | 著者 | Damu, W, Ning, G. | 登録日 | 2022-07-25 | 公開日 | 2023-01-04 | 最終更新日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | 主引用文献 | Cryo-EM Structure of the 50S-HflX Complex Reveals a Novel Mechanism of Antibiotic Resistance in E. coli Biorxiv, 2022
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5TTF
| Crystal structure of catalytic domain of G9a with MS012 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | 著者 | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-11-03 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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2N5L
| Regnase-1 C-terminal domain | 分子名称: | Ribonuclease ZC3H12A | 著者 | Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F. | 登録日 | 2015-07-18 | 公開日 | 2016-03-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions Sci Rep, 6, 2016
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7RVO
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5U6I
| Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | 登録日 | 2016-12-08 | 公開日 | 2017-03-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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7RVS
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVR
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI18 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RW0
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI27 | 分子名称: | 3C-like proteinase, N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVM
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI11 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVW
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI23 | 分子名称: | 3C-like proteinase, benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVU
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7RW1
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7RVV
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVZ
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7RVQ
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16 | 分子名称: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVX
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24 | 分子名称: | 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVP
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7RVN
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7RVT
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7RVY
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI25 | 分子名称: | 3C-like proteinase, O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | 著者 | Yang, K, Liu, W. | 登録日 | 2021-08-19 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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2N8A
| 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | 分子名称: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | 著者 | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | 登録日 | 2015-10-08 | 公開日 | 2015-12-02 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1. Mol.Cell, 60, 2015
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3F9V
| Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase | 分子名称: | Minichromosome maintenance protein MCM | 著者 | Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M. | 登録日 | 2008-11-14 | 公開日 | 2008-12-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (4.35 Å) | 主引用文献 | Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase. Proc.Natl.Acad.Sci.USA, 105, 2008
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2MUW
| NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 | 分子名称: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | 著者 | Wu, Y, Wang, J, DeGrado, W. | 登録日 | 2014-09-18 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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5F6Z
| Sandercyanin Fluorescent Protein purified from Sander vitreus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | 著者 | Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R. | 登録日 | 2015-12-07 | 公開日 | 2016-09-28 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | 主引用文献 | Blue protein with red fluorescence Proc.Natl.Acad.Sci.USA, 113, 2016
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3FH4
| Crystal Structure of Recombinant Vibrio proteolyticus aminopeptidase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ... | 著者 | Yong, W, Kim, J.-J.P, Hartley, M, Bennett, B. | 登録日 | 2008-12-08 | 公開日 | 2009-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Heterologous expression and purification of Vibrio proteolyticus (Aeromonas proteolytica) aminopeptidase: a rapid protocol Protein Expr.Purif., 66, 2009
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