6RJ6
| Crystal structure of PHGDH in complex with BI-4924 | 分子名称: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6RJ5
| Crystal structure of PHGDH in complex with compound 39 | 分子名称: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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7QXI
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7QV9
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7QWP
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6RIH
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6RJ2
| Crystal structure of PHGDH in complex with compound 40 | 分子名称: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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7RN0
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7RN1
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7V2A
| SARS-CoV-2 Spike trimer in complex with XG014 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | 著者 | Wang, K, Wang, X, Pan, L. | 登録日 | 2021-08-07 | 公開日 | 2021-10-20 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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8QPR
| SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ... | 著者 | Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S. | 登録日 | 2023-10-03 | 公開日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted. Ebiomedicine, 100, 2024
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8QQ0
| SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3 | 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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S. | 登録日 | 2023-10-03 | 公開日 | 2024-01-31 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted. Ebiomedicine, 100, 2024
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8IP6
| Cryo-EM structure of hMRS2-rest | 分子名称: | CHLORIDE ION, Magnesium transporter MRS2 homolog, mitochondrial | 著者 | Li, M, Li, Y, Yang, X, Shen, Y.Q. | 登録日 | 2023-03-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP3
| Cryo-EM structure of hMRS2-Mg | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | 著者 | Li, M, Li, Y, Yang, X, Shen, Y.Q. | 登録日 | 2023-03-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP4
| Cryo-EM structure of hMRS-highEDTA | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | 著者 | Li, M, Li, Y, Yang, X, Shen, Y.Q. | 登録日 | 2023-03-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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8IP5
| Cryo-EM structure of hMRS2-lowEDTA | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | 著者 | Li, M, Li, Y, Yang, X, Shen, Y.Q. | 登録日 | 2023-03-14 | 公開日 | 2023-06-14 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel. Nat Commun, 14, 2023
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2K8H
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6WTT
| Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Sacco, M, Ma, C, Chen, Y, Wang, J. | 登録日 | 2020-05-03 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res., 30, 2020
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6OX0
| SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor | 分子名称: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX1
| SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated | 分子名称: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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3WGJ
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6OX3
| SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX5
| A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine | 分子名称: | 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ... | 著者 | Horton, J.R, Dai, S, Cheng, X. | 登録日 | 2019-05-13 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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8TQP
| HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | 分子名称: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein | 著者 | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | 登録日 | 2023-08-08 | 公開日 | 2023-12-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
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8TOV
| HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | 分子名称: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17 | 著者 | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | 登録日 | 2023-08-04 | 公開日 | 2023-12-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
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