9AT1
 
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (R-enantiomer) | | 分子名称: | (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8VX9
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8VA1
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9EOE
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9EZ8
 | | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. | | 分子名称: | 6,7-dimethyl-8-ribityllumazine synthase | | 著者 | Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. | | 登録日 | 2024-04-11 | | 公開日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
To Be Published
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8WKR
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9EM6
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9EPM
 | | Mpro from SARS-CoV-2 with 4A mutation | | 分子名称: | Non-structural protein 11 | | 著者 | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | 登録日 | 2024-03-19 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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9EU8
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 15h | | 分子名称: | (4-methyl-1,3-thiazol-5-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 (2.3 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
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9EM5
 | | OPR3 variant Y364P in its monomeric form | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, CHLORIDE ION, ... | | 著者 | Bijelic, A, Macheroux, P, Kerschbaumer, B. | | 登録日 | 2024-03-07 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer.
Sci Rep, 14, 2024
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8XCV
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9ATF
 | | Crystal structure of MERS 3CL protease in complex with a 1-methyl-4,4-difluorocyclohexyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8YJF
 | | Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and an H2A-H2B dimer | | 分子名称: | DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2A type 1-D, ... | | 著者 | Gan, S.L, Yang, W.S, Xu, R.M. | | 登録日 | 2024-03-01 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
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9AZI
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9C4D
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8YA5
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9G2U
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8XCW
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8WO3
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Mupirocin | | 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 (2.2 Å) | | 主引用文献 | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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9C49
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9BRS
 | | Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles | | 分子名称: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | 著者 | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | 登録日 | 2024-05-11 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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9CA2
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8W4V
 | | Crystal structure of human HSP90 in complex with compound 4 | | 分子名称: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | 著者 | Xu, C, Zhang, X.L, Bai, F. | | 登録日 | 2023-08-25 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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8XBD
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8XCJ
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