7SO3
 
 | | Crystal Structure of HIV-1 Reverse Transcriptase K103N/Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | | 分子名称: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Frey, K.M, Anderson, K.S. | | 登録日 | 2021-10-29 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.767 Å) | | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
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7TBC
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | | 分子名称: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBD
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | | 分子名称: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBB
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | 著者 | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | | 登録日 | 2021-12-21 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7SPE
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7SPG
 | | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P212121 | | 分子名称: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bacik, J.P, Fasan, R, Ando, N. | | 登録日 | 2021-11-02 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
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7SPF
 | | Crystal structure of sperm whale myoglobin variant sMb5(pCaaF) | | 分子名称: | Myoglobin, NITRATE ION, OXYGEN MOLECULE, ... | | 著者 | Bacik, J.P, Fasan, R, Ando, N. | | 登録日 | 2021-11-02 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
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7SPH
 | | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P21 | | 分子名称: | Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bacik, J.P, Fasan, R, Ando, N. | | 登録日 | 2021-11-02 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
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7T9X
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7T92
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7SNM
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7SSC
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7SQR
 | | 201phi2-1 Chimallin localized tetramer reconstruction | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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7SQQ
 | | 201Phi2-1 Chimallin Cubic (O, 24mer) assembly | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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7SQU
 | | Goslar chimallin C4 tetramer localized reconstruction | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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7SQV
 | | Goslar chimallin C1 localized reconstruction | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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7SQS
 | | 201phi2-1 Chimallin C1 localized reconstruction | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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7SQT
 | | Goslar chimallin cubic (O, 24mer) assembly | | 分子名称: | Chimallin | | 著者 | Laughlin, T.G, Deep, A, Prichard, A.M, Seitz, C, Gu, Y, Enustun, E, Suslov, S, Khanna, K, Birkholz, E.A, Amaro, R.E, Pogliano, J, Corbett, K.D, Villa, E. | | 登録日 | 2021-11-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Architecture and self-assembly of the jumbo bacteriophage nuclear shell.
Nature, 608, 2022
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7BJ6
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Williams, P.A. | | 登録日 | 2021-01-14 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BIT
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BJ0
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BMG
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Williams, P.A. | | 登録日 | 2021-01-20 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BIV
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BIR
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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