4P1R
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4TPM
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3W0F
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![BU of 3w0f by Molmil](/molmil-images/mine/3w0f) | Crystal structure of mouse Endonuclease VIII-LIKE 3 (mNEIL3) | 分子名称: | Endonuclease 8-like 3, IODIDE ION, ZINC ION | 著者 | Liu, M, Imamura, K, Averill, A.M, Wallace, S.S, Doublie, S. | 登録日 | 2012-10-30 | 公開日 | 2013-01-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Characterization of a Mouse Ortholog of Human NEIL3 with a Marked Preference for Single-Stranded DNA Structure, 21, 2013
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5L30
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![BU of 5l30 by Molmil](/molmil-images/mine/5l30) | Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | 分子名称: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | 著者 | Wei, A. | 登録日 | 2016-08-02 | 公開日 | 2016-09-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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4QO7
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5G5J
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5HZ5
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4TPP
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![BU of 4tpp by Molmil](/molmil-images/mine/4tpp) | 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors | 分子名称: | 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ... | 著者 | Chmait, S. | 登録日 | 2014-06-09 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility. Bioorg.Med.Chem., 22, 2014
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8H6I
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![BU of 8h6i by Molmil](/molmil-images/mine/8h6i) | The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors | 分子名称: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-17 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H7K
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8H5F
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![BU of 8h5f by Molmil](/molmil-images/mine/8h5f) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-13 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H51
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![BU of 8h51 by Molmil](/molmil-images/mine/8h51) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-11 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H5P
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![BU of 8h5p by Molmil](/molmil-images/mine/8h5p) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-13 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H57
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![BU of 8h57 by Molmil](/molmil-images/mine/8h57) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-12 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H6N
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![BU of 8h6n by Molmil](/molmil-images/mine/8h6n) | Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-18 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H7W
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![BU of 8h7w by Molmil](/molmil-images/mine/8h7w) | Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-21 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H82
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![BU of 8h82 by Molmil](/molmil-images/mine/8h82) | Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-21 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8HBK
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![BU of 8hbk by Molmil](/molmil-images/mine/8hbk) | The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Lin, M. | 登録日 | 2022-10-29 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H4Y
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![BU of 8h4y by Molmil](/molmil-images/mine/8h4y) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Lin, M, Liu, X. | 登録日 | 2022-10-11 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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6KSQ
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7DD5
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![BU of 7dd5 by Molmil](/molmil-images/mine/7dd5) | Structure of Calcium-Sensing Receptor in complex with NPS-2143 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ... | 著者 | Wen, T.L, Yang, X, Shen, Y.Q. | 登録日 | 2020-10-27 | 公開日 | 2021-06-16 | 最終更新日 | 2021-06-23 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD7
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![BU of 7dd7 by Molmil](/molmil-images/mine/7dd7) | Structure of Calcium-Sensing Receptor in complex with Evocalcet | 分子名称: | 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wen, T.L, Yang, X, Shen, Y.Q. | 登録日 | 2020-10-27 | 公開日 | 2021-06-16 | 最終更新日 | 2021-06-23 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD6
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![BU of 7dd6 by Molmil](/molmil-images/mine/7dd6) | Structure of Ca2+/L-Trp-bonnd Calcium-Sensing Receptor in active state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Wen, T.L, Yang, X, Shen, Y.Q. | 登録日 | 2020-10-27 | 公開日 | 2021-06-16 | 最終更新日 | 2021-06-23 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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6L4V
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6L4W
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