8XFD
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![BU of 8xfd by Molmil](/molmil-images/mine/8xfd) | Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348) | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ... | 著者 | Sun, R, Achour, A. | 登録日 | 2023-12-13 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348 Crystals, 2024
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8X3S
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![BU of 8x3s by Molmil](/molmil-images/mine/8x3s) | Crystal structure of human WDR5 in complex with PTEN | 分子名称: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | 著者 | Liu, Y, Huang, X, Shang, X. | 登録日 | 2023-11-14 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
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5Z1S
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![BU of 5z1s by Molmil](/molmil-images/mine/5z1s) | Crystal Structure Analysis of the BRD4(1) | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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5Z1R
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![BU of 5z1r by Molmil](/molmil-images/mine/5z1r) | Crystal Structure Analysis of the BRD4 | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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8IYX
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![BU of 8iyx by Molmil](/molmil-images/mine/8iyx) | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | 分子名称: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | 著者 | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | 登録日 | 2023-04-06 | 公開日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JYS
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![BU of 8jys by Molmil](/molmil-images/mine/8jys) | |
8FY7
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![BU of 8fy7 by Molmil](/molmil-images/mine/8fy7) | SARS-CoV-2 main protease in complex with covalent inhibitor | 分子名称: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | 著者 | Fried, W, Chen, X.S. | 登録日 | 2023-01-25 | 公開日 | 2023-08-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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8FY6
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![BU of 8fy6 by Molmil](/molmil-images/mine/8fy6) | SARS-CoV-2 main protease in complex with covalent inhibitor | 分子名称: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Fried, W, Chen, X.S. | 登録日 | 2023-01-25 | 公開日 | 2023-08-30 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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6XEO
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![BU of 6xeo by Molmil](/molmil-images/mine/6xeo) | Structure of Mfd bound to dsDNA | 分子名称: | DNA (5'-D(P*AP*GP*GP*AP*TP*AP*CP*TP*TP*AP*CP*AP*GP*CP*CP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*GP*GP*CP*TP*GP*TP*AP*AP*GP*TP*AP*TP*CP*CP*T)-3'), Transcription-repair-coupling factor | 著者 | Brugger, C, Deaconescu, A. | 登録日 | 2020-06-12 | 公開日 | 2020-08-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (5.5 Å) | 主引用文献 | Molecular determinants for dsDNA translocation by the transcription-repair coupling and evolvability factor Mfd. Nat Commun, 11, 2020
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5Z1T
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![BU of 5z1t by Molmil](/molmil-images/mine/5z1t) | Crystal Structure Analysis of the BRD4(1) | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | 登録日 | 2017-12-28 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. Acs Med.Chem.Lett., 9, 2018
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6SCF
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![BU of 6scf by Molmil](/molmil-images/mine/6scf) | A viral anti-CRISPR subverts type III CRISPR immunity by rapid degradation of cyclic oligoadenylate | 分子名称: | Uncharacterized protein, cyclic oligoadenylate | 著者 | McMahon, S.A, Athukoralage, J.S, Graham, S, White, M.F, Gloster, T.M. | 登録日 | 2019-07-24 | 公開日 | 2019-10-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | An anti-CRISPR viral ring nuclease subverts type III CRISPR immunity. Nature, 577, 2020
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8Y95
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![BU of 8y95 by Molmil](/molmil-images/mine/8y95) | Structure of NET-NE in Occluded state | 分子名称: | CHLORIDE ION, Noradrenaline, SODIUM ION, ... | 著者 | Zhang, H, Xu, H.E, Jiang, Y. | 登録日 | 2024-02-06 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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5WMG
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![BU of 5wmg by Molmil](/molmil-images/mine/5wmg) | N-terminal bromodomain of BRD4 in complex with OTX-015 | 分子名称: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | 著者 | Zhang, Y. | 登録日 | 2017-07-28 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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5WMD
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![BU of 5wmd by Molmil](/molmil-images/mine/5wmd) | N-terminal bromodomain of BRD4 in complex with OTX-015 | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | 著者 | Zhang, Y. | 登録日 | 2017-07-28 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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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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8GDA
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![BU of 8gda by Molmil](/molmil-images/mine/8gda) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | 分子名称: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | 登録日 | 2023-03-03 | 公開日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (3.3 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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8GD9
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![BU of 8gd9 by Molmil](/molmil-images/mine/8gd9) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | 分子名称: | 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S. | 登録日 | 2023-03-03 | 公開日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (3.2 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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7S8O
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![BU of 7s8o by Molmil](/molmil-images/mine/7s8o) | CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8L
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![BU of 7s8l by Molmil](/molmil-images/mine/7s8l) | CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14 | 分子名称: | Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8P
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![BU of 7s8p by Molmil](/molmil-images/mine/7s8p) | CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | 分子名称: | Gs-mini-Gq chimera, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8M
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![BU of 7s8m by Molmil](/molmil-images/mine/7s8m) | CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | 分子名称: | Cortistatin 14, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8N
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![BU of 7s8n by Molmil](/molmil-images/mine/7s8n) | CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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5WMA
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![BU of 5wma by Molmil](/molmil-images/mine/5wma) | N-terminal bromodomain of BRD4 in complex with PLX5981 | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | 著者 | Zhang, Y. | 登録日 | 2017-07-28 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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5GUT
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![BU of 5gut by Molmil](/molmil-images/mine/5gut) | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | 分子名称: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | 著者 | Chen, S.J, Ye, F. | 登録日 | 2016-08-31 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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