7TEI
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![BU of 7tei by Molmil](/molmil-images/mine/7tei) | |
6XZ8
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![BU of 6xz8 by Molmil](/molmil-images/mine/6xz8) | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | 分子名称: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | 登録日 | 2020-02-03 | 公開日 | 2020-06-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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8CSA
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![BU of 8csa by Molmil](/molmil-images/mine/8csa) | |
6L4S
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![BU of 6l4s by Molmil](/molmil-images/mine/6l4s) | |
3KME
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![BU of 3kme by Molmil](/molmil-images/mine/3kme) | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | 分子名称: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | 著者 | Orth, P. | 登録日 | 2009-11-10 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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6L1T
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![BU of 6l1t by Molmil](/molmil-images/mine/6l1t) | Cryo-EM structure of phosphorylated Tyr39 a-synuclein amyloid fibril | 分子名称: | Alpha-synuclein | 著者 | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | 登録日 | 2019-09-30 | 公開日 | 2020-08-12 | 最終更新日 | 2020-09-02 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L1U
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![BU of 6l1u by Molmil](/molmil-images/mine/6l1u) | Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril | 分子名称: | Alpha-synuclein | 著者 | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | 登録日 | 2019-09-30 | 公開日 | 2020-08-12 | 最終更新日 | 2020-09-02 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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3KMC
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![BU of 3kmc by Molmil](/molmil-images/mine/3kmc) | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | 分子名称: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | 著者 | Orth, P. | 登録日 | 2009-11-10 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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3LEA
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![BU of 3lea by Molmil](/molmil-images/mine/3lea) | |
6RJ5
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![BU of 6rj5 by Molmil](/molmil-images/mine/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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6RIH
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![BU of 6rih by Molmil](/molmil-images/mine/6rih) | |
6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/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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7T9V
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![BU of 7t9v by Molmil](/molmil-images/mine/7t9v) | Crystal structure of hSTING with the agonist, SHR171032 | 分子名称: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
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7T9U
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![BU of 7t9u by Molmil](/molmil-images/mine/7t9u) | Crystal structure of hSTING with an agonist (SHR169224) | 分子名称: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
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6LNQ
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![BU of 6lnq by Molmil](/molmil-images/mine/6lnq) | The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7 | 分子名称: | N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease | 著者 | Wang, H, Shang, L.Q. | 登録日 | 2020-01-01 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.244 Å) | 主引用文献 | Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease. Acs Catalysis, 10, 2020
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6LO0
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![BU of 6lo0 by Molmil](/molmil-images/mine/6lo0) | |
6RJ6
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![BU of 6rj6 by Molmil](/molmil-images/mine/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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7YV8
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![BU of 7yv8 by Molmil](/molmil-images/mine/7yv8) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ... | 著者 | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | 登録日 | 2022-08-18 | 公開日 | 2023-07-19 | 最終更新日 | 2023-08-02 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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7YVU
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![BU of 7yvu by Molmil](/molmil-images/mine/7yvu) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | 著者 | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | 登録日 | 2022-08-19 | 公開日 | 2023-07-19 | 最終更新日 | 2023-08-02 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8HOY
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![BU of 8hoy by Molmil](/molmil-images/mine/8hoy) | Cryo-EM structure of monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex without DNA at 2.76 angostram | 分子名称: | DNA polymerase, DNA polymerase processivity factor component A20, E4R | 著者 | Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C. | 登録日 | 2022-12-11 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | 主引用文献 | Structure of DNA replication machinery from human monkeypox virus To Be Published
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8HPA
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![BU of 8hpa by Molmil](/molmil-images/mine/8hpa) | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form | 分子名称: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | 著者 | Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C. | 登録日 | 2022-12-12 | 公開日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | 主引用文献 | Structure of DNA replication machinery from human monkeypox virus To Be Published
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4WAU
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![BU of 4wau by Molmil](/molmil-images/mine/4wau) | Crystal structure of CENP-M solved by native-SAD phasing | 分子名称: | Centromere protein M | 著者 | Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M. | 登録日 | 2014-09-01 | 公開日 | 2014-12-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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6WMW
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![BU of 6wmw by Molmil](/molmil-images/mine/6wmw) | GFRAL receptor bound with two antibody Fabs (3P10, 25M22) | 分子名称: | FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ... | 著者 | White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K. | 登録日 | 2020-04-21 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice. Nat Med, 26, 2020
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7V1N
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![BU of 7v1n by Molmil](/molmil-images/mine/7v1n) | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | 分子名称: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | 著者 | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | 登録日 | 2021-08-05 | 公開日 | 2022-02-23 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile. Cell, 185, 2022
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4ZS6
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![BU of 4zs6 by Molmil](/molmil-images/mine/4zs6) | Receptor binding domain and Fab complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein, fab Heavy Chain, ... | 著者 | Yu, X, Wang, X. | 登録日 | 2015-05-13 | 公開日 | 2015-09-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.166 Å) | 主引用文献 | Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27 Sci Rep, 5, 2015
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