4GM9
 
 | | Crystal structure of human WD repeat domain 5 with compound MM-401 | | 分子名称: | MM-401, WD repeat-containing protein 5 | | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | | 登録日 | 2012-08-15 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of human WD repeat domain 5 with compound MM-401
To be Published
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4GM3
 | | Crystal structure of human WD repeat domain 5 with compound MM-101 | | 分子名称: | MM-101, WD repeat-containing protein 5 | | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | 登録日 | 2012-08-15 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.393 Å) | | 主引用文献 | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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7BOR
 | | Structure of Pseudomonas aeruginosa CoA-bound OdaA | | 分子名称: | COENZYME A, Probable enoyl-CoA hydratase/isomerase | | 著者 | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | | 登録日 | 2020-03-19 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
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7CRD
 | | Structure of Pseudomonas aeruginosa OdaA | | 分子名称: | Probable enoyl-CoA hydratase/isomerase | | 著者 | Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R. | | 登録日 | 2020-08-13 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
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4GHQ
 | | Crystal structure of EV71 3C proteinase | | 分子名称: | 3C proteinase | | 著者 | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | | 登録日 | 2012-08-08 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
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4GHT
 | | Crystal structure of EV71 3C proteinase in complex with AG7088 | | 分子名称: | 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | 著者 | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | | 登録日 | 2012-08-08 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
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4GM8
 | | Crystal structure of human WD repeat domain 5 with compound MM-102 | | 分子名称: | MM-102, WD repeat-containing protein 5 | | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | 登録日 | 2012-08-15 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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8J60
 | | Structural and mechanistic insight into ribosomal ITS2 RNA processing by nuclease-kinase machinery | | 分子名称: | LAS1 protein, Polynucleotide 5'-hydroxyl-kinase GRC3 | | 著者 | Chen, J, Chen, H, Li, S, Lin, X, Hu, R, Zhang, K, Liu, L. | | 登録日 | 2023-04-24 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Structural and mechanistic insights into ribosomal ITS2 RNA processing by nuclease-kinase machinery.
Elife, 12, 2024
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8J5Y
 | | Structural and mechanistic insight into ribosomal ITS2 RNA processing by nuclease-kinase machinery | | 分子名称: | LAS1 isoform 1, Polynucleotide 5'-hydroxyl-kinase GRC3 | | 著者 | Chen, J, Chen, H, Li, S, Lin, X, Hu, R, Zhang, K, Liu, L. | | 登録日 | 2023-04-24 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Structural and mechanistic insights into ribosomal ITS2 RNA processing by nuclease-kinase machinery.
Elife, 12, 2024
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7TQ7
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | | 分子名称: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-01-26 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TQ6
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d | | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-01-26 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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7TQ5
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d | | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | 登録日 | 2022-01-26 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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4N7R
 | | Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its binding protein | | 分子名称: | Genomic DNA, chromosome 3, P1 clone: MXL8, ... | | 著者 | Zhao, A, Fang, Y, Lin, Y, Gong, W, Liu, L. | | 登録日 | 2013-10-16 | | 公開日 | 2014-05-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its stimulator protein
Proc.Natl.Acad.Sci.USA, 111, 2014
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7UDW
 | | Designed pentameric proton channel QQLL | | 分子名称: | De novo designed pentameric proton channel QQLL | | 著者 | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F. | | 登録日 | 2022-03-20 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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7UDV
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7UDZ
 | | Designed pentameric proton channel LQLL | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL | | 著者 | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F. | | 登録日 | 2022-03-20 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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7UDY
 | | Designed pentameric channel QLLL | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL | | 著者 | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | | 登録日 | 2022-03-20 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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7UDX
 | | Designed pentameric proton channel QLQL | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL | | 著者 | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | | 登録日 | 2022-03-20 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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4QDJ
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4QDK
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4MRO
 | | Human GKRP bound to AMG-5980 and S6P | | 分子名称: | 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C. | | 登録日 | 2013-09-17 | | 公開日 | 2014-05-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
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4MQU
 | | Human GKRP complexed to AMG-3969 and S6P | | 分子名称: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L. | | 登録日 | 2013-09-16 | | 公開日 | 2014-05-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
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4QS7
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4QS9
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7DP3
 | | Human MCM8 N-terminal domain | | 分子名称: | DNA helicase MCM8, ZINC ION | | 著者 | Li, J, Liu, L, Liu, Y. | | 登録日 | 2020-12-17 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
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