6S4U
 
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8W46
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8TZ8
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8UUV
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | | 分子名称: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | | 著者 | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8W48
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8VE6
 | | (Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the frayed conformation | | 分子名称: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | | 著者 | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | | 登録日 | 2023-12-18 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
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9BH6
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9B35
 | | Ligand-binding and transmembrane domains of kainate receptor GluK2 in the open state, a complex with agonist glutamate and positive allosteric modulator BPAM344 | | 分子名称: | GLUTAMIC ACID, Glutamate receptor ionotropic, kainate 2 | | 著者 | Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I. | | 登録日 | 2024-03-18 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | 分子名称: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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9BH8
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8YZK
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8WUY
 | | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | | 分子名称: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | | 著者 | Hong, W.B, Chen, X.Q, Lin, T.W. | | 登録日 | 2023-10-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
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8UUY
 | | SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | | 分子名称: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8V4J
 | | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | | 分子名称: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | | 著者 | Junop, M.S, Brown, C, Szabla, R. | | 登録日 | 2023-11-29 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
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3E4F
 | | Crystal structure of BA2930- a putative aminoglycoside N3-acetyltransferase from Bacillus anthracis | | 分子名称: | Aminoglycoside N3-acetyltransferase, CITRIC ACID | | 著者 | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2008-08-11 | | 公開日 | 2008-08-19 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
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8ZCJ
 | | Cryo-EM structure of the pasireotide-bound SSTR5-Gi complex | | 分子名称: | 004-DTR-LYS-TYR-PHA-HYP, Beta-2 adrenergic receptor,Somatostatin receptor type 5,lgbit (fusion protein), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Li, Y.G, Meng, X.Y, Yang, X.R, Ling, S.L, Shi, P, Tian, C.L, Yang, F. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Structural insights into somatostatin receptor 5 bound with cyclic peptides.
Acta Pharmacol.Sin., 2024
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8UUU
 | | SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-02 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8TZ9
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8WFJ
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8U8X
 | | crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | | 分子名称: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Wang, J, Mou, T.C. | | 登録日 | 2023-09-18 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA .
J.Med.Chem., 67, 2024
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8UVM
 | | SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313 | | 分子名称: | CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ... | | 著者 | Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-03 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8VEW
 | | Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24 | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ... | | 著者 | Whittington, D.A. | | 登録日 | 2023-12-20 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
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8TZ1
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8UUG
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-01 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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3Q6M
 | | Crystal Structure of Human MC-HSP90 in C2221 Space Group | | 分子名称: | Heat shock protein HSP 90-alpha, SULFATE ION | | 著者 | Lee, C.C, Lin, T.W, Ko, T.P, Wang, A.H.-J. | | 登録日 | 2011-01-03 | | 公開日 | 2011-06-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The hexameric structures of human heat shock protein 90
Plos One, 6, 2011
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