5VBT
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![BU of 5vbt by Molmil](/molmil-images/mine/5vbt) | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor | 分子名称: | UBH04 | 著者 | DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | 登録日 | 2017-03-30 | 公開日 | 2017-06-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor to be published
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8GCM
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![BU of 8gcm by Molmil](/molmil-images/mine/8gcm) | Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein | 分子名称: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J. | 登録日 | 2023-03-02 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GCP
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![BU of 8gcp by Molmil](/molmil-images/mine/8gcp) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | 分子名称: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J. | 登録日 | 2023-03-02 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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5FEJ
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![BU of 5fej by Molmil](/molmil-images/mine/5fej) | CopM in the Cu(I)-bound form | 分子名称: | COPPER (I) ION, CopM | 著者 | Zhao, S, Wang, X, Liu, L. | 登録日 | 2015-12-17 | 公開日 | 2016-09-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM. Acta Crystallogr D Struct Biol, 72, 2016
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5FFA
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![BU of 5ffa by Molmil](/molmil-images/mine/5ffa) | |
5FFC
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![BU of 5ffc by Molmil](/molmil-images/mine/5ffc) | CopM in the Cu(II)-bound form | 分子名称: | COPPER (II) ION, CopM, SULFATE ION | 著者 | Zhao, S, Wang, X, Liu, L. | 登録日 | 2015-12-18 | 公開日 | 2016-09-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM. Acta Crystallogr D Struct Biol, 72, 2016
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7T49
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![BU of 7t49 by Molmil](/molmil-images/mine/7t49) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T40
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![BU of 7t40 by Molmil](/molmil-images/mine/7t40) | Structure of MERS 3CL protease in complex with inhibitor 10c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T4A
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![BU of 7t4a by Molmil](/molmil-images/mine/7t4a) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c | 分子名称: | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T3Z
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![BU of 7t3z by Molmil](/molmil-images/mine/7t3z) | Structure of MERS 3CL protease in complex with inhibitor 9c | 分子名称: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase | 著者 | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T3Y
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![BU of 7t3y by Molmil](/molmil-images/mine/7t3y) | Structure of MERS 3CL protease in complex with inhibitor 8c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T48
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![BU of 7t48 by Molmil](/molmil-images/mine/7t48) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c | 分子名称: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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7T46
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![BU of 7t46 by Molmil](/molmil-images/mine/7t46) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}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, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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5FW5
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![BU of 5fw5 by Molmil](/molmil-images/mine/5fw5) | Crystal structure of human G3BP1 in complex with Semliki Forest Virus nsP3-25 comprising two FGDF motives | 分子名称: | ACETATE ION, GLYCEROL, NON-STRUCTURAL PROTEIN 3, ... | 著者 | Schulte, T, Liu, L, Panas, M.D, Thaa, B, Goette, B, Achour, A, McInerney, G.M. | 登録日 | 2016-02-12 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication. Open Biol, 6, 2016
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5FFB
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![BU of 5ffb by Molmil](/molmil-images/mine/5ffb) | CopM in the apo form | 分子名称: | CopM | 著者 | Zhao, S, Wang, X, Liu, L. | 登録日 | 2015-12-18 | 公開日 | 2016-09-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM. Acta Crystallogr D Struct Biol, 72, 2016
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5GND
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![BU of 5gnd by Molmil](/molmil-images/mine/5gnd) | Structure of Deg protease HhoA from Synechocystis sp. PCC 6803 | 分子名称: | Putative serine protease HhoA, SODIUM ION, UNK-UNK-UNK-UNK-TRP, ... | 著者 | Dong, W, Wang, J, Liu, L. | 登録日 | 2016-07-20 | 公開日 | 2016-09-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of the zinc-bound HhoA protease from Synechocystis sp. PCC 6803 Febs Lett., 590, 2016
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5FFE
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![BU of 5ffe by Molmil](/molmil-images/mine/5ffe) | |
5FFD
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![BU of 5ffd by Molmil](/molmil-images/mine/5ffd) | |
7TQ7
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![BU of 7tq7 by Molmil](/molmil-images/mine/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
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![BU of 7tq6 by Molmil](/molmil-images/mine/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
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![BU of 7tq5 by Molmil](/molmil-images/mine/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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5H3E
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![BU of 5h3e by Molmil](/molmil-images/mine/5h3e) | Crystal structure of mouse isocitrate dehydrogenases 2 K256Q mutant complexed with isocitrate | 分子名称: | ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | 著者 | Xu, Y, Liu, L, Miyakawa, T, Nakamura, A, Tanokura, M. | 登録日 | 2016-10-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Studies on the regulatory mechanism of isocitrate dehydrogenase 2 using acetylation mimics Sci Rep, 7, 2017
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5H3F
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![BU of 5h3f by Molmil](/molmil-images/mine/5h3f) | Crystal structure of mouse isocitrate dehydrogenases 2 complexed with isocitrate | 分子名称: | ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | 著者 | Xu, Y, Liu, L, Miyakawa, T, Nakamura, A, Tanokura, M. | 登録日 | 2016-10-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | Studies on the regulatory mechanism of isocitrate dehydrogenase 2 using acetylation mimics Sci Rep, 7, 2017
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7JH6
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![BU of 7jh6 by Molmil](/molmil-images/mine/7jh6) | De novo designed two-domain di-Zn(II) and porphyrin-binding protein | 分子名称: | NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ... | 著者 | Schmidt, N, Liu, L, DeGrado, W.F. | 登録日 | 2020-07-20 | 公開日 | 2020-12-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Allosteric cooperation in a de novo-designed two-domain protein. Proc.Natl.Acad.Sci.USA, 117, 2020
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7JY5
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![BU of 7jy5 by Molmil](/molmil-images/mine/7jy5) | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | 著者 | Pan, M, Yu, Y, Liu, L, Zhao, M. | 登録日 | 2020-08-28 | 公開日 | 2021-01-20 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | 主引用文献 | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative. Nat Commun, 12, 2021
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