8GPC
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![BU of 8gpc by Molmil](/molmil-images/mine/8gpc) | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, SODIUM ION, ... | 著者 | Shi, X, Dai, Y, Zhang, Q, Liu, W. | 登録日 | 2022-08-26 | 公開日 | 2023-08-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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8GPE
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![BU of 8gpe by Molmil](/molmil-images/mine/8gpe) | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G | 分子名称: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | 著者 | Shi, X, Dai, Y, Zhang, Q, Liu, W. | 登録日 | 2022-08-26 | 公開日 | 2023-08-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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8HNV
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![BU of 8hnv by Molmil](/molmil-images/mine/8hnv) | CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4 | 分子名称: | CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ... | 著者 | Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y. | 登録日 | 2022-12-08 | 公開日 | 2023-07-19 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8I8F
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![BU of 8i8f by Molmil](/molmil-images/mine/8i8f) | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | 著者 | Shi, X, Liu, W. | 登録日 | 2023-02-04 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
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7EEI
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![BU of 7eei by Molmil](/molmil-images/mine/7eei) | |
8JBV
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![BU of 8jbv by Molmil](/molmil-images/mine/8jbv) | Extracellular domain of gamma delta TCR | 分子名称: | T cell receptor delta variable 1,T cell receptor delta constant, T cell receptor gamma variable 5,T cell receptor gamma constant 1 | 著者 | Xin, W, Chi, X, Huang, B, Su, Q, Zhou, Q. | 登録日 | 2023-05-09 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.02 Å) | 主引用文献 | Structures of human gamma delta T cell receptor-CD3 complex. Nature, 630, 2024
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7F2S
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![BU of 7f2s by Molmil](/molmil-images/mine/7f2s) | Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form | 分子名称: | 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ... | 著者 | Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T. | 登録日 | 2021-06-14 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin Rsc Adv, 11, 2021
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7F35
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![BU of 7f35 by Molmil](/molmil-images/mine/7f35) | Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Antibody Fab fragment heavy chain, ... | 著者 | Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T. | 登録日 | 2021-06-15 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin Rsc Adv, 11, 2021
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7WW2
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![BU of 7ww2 by Molmil](/molmil-images/mine/7ww2) | Structure of an Isocytosine specific deaminase Vcz | 分子名称: | 8-oxoguanine deaminase, ZINC ION | 著者 | Li, X.J, Wu, B.X. | 登録日 | 2022-02-12 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy. Iscience, 26, 2023
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8T6B
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![BU of 8t6b by Molmil](/molmil-images/mine/8t6b) | |
8T69
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![BU of 8t69 by Molmil](/molmil-images/mine/8t69) | |
8T6A
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![BU of 8t6a by Molmil](/molmil-images/mine/8t6a) | |
8T5F
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![BU of 8t5f by Molmil](/molmil-images/mine/8t5f) | De novo design of high-affinity protein binders to bioactive helical peptides | 分子名称: | Parathyroid hormone | 著者 | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | 登録日 | 2023-06-13 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8T5E
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![BU of 8t5e by Molmil](/molmil-images/mine/8t5e) | De novo design of high-affinity protein binders to bioactive helical peptides | 分子名称: | Bcl-2-like protein 11, Bim_fulldiff | 著者 | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | 登録日 | 2023-06-13 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
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8TPE
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![BU of 8tpe by Molmil](/molmil-images/mine/8tpe) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPB
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![BU of 8tpb by Molmil](/molmil-images/mine/8tpb) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPG
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![BU of 8tpg by Molmil](/molmil-images/mine/8tpg) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.692 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPH
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![BU of 8tph by Molmil](/molmil-images/mine/8tph) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPI
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![BU of 8tpi by Molmil](/molmil-images/mine/8tpi) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPD
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![BU of 8tpd by Molmil](/molmil-images/mine/8tpd) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | 3C-like proteinase nsp5, N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPF
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![BU of 8tpf by Molmil](/molmil-images/mine/8tpf) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPC
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![BU of 8tpc by Molmil](/molmil-images/mine/8tpc) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | 著者 | Chua, T.K, Song, Y. | 登録日 | 2023-08-04 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8HNS
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![BU of 8hns by Molmil](/molmil-images/mine/8hns) | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | 分子名称: | GLYCEROL, anti-CRISPR protein AcrIIC4 | 著者 | Sun, W, Cheng, Z, Yang, J, Wang, Y. | 登録日 | 2022-12-08 | 公開日 | 2023-07-19 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNW
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![BU of 8hnw by Molmil](/molmil-images/mine/8hnw) | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | 分子名称: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | 著者 | Sun, W, Cheng, Z, Wang, Y. | 登録日 | 2022-12-08 | 公開日 | 2023-07-19 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNT
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![BU of 8hnt by Molmil](/molmil-images/mine/8hnt) | |