3P31
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3P38
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7V1T
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![BU of 7v1t by Molmil](/molmil-images/mine/7v1t) | A dual Inhibitor Against Main Protease | Descriptor: | 3C-like proteinase, 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide | Authors: | Yu, W.Y, Xiao, Y.B, Zhao, Y.C. | Deposit date: | 2021-08-06 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.562 Å) | Cite: | SARS-CoV-2 Mpro complex with inhibitor To Be Published
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8HLT
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![BU of 8hlt by Molmil](/molmil-images/mine/8hlt) | The co-crystal structure of DYRK2 with YK-2-99B | Descriptor: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer. J.Med.Chem., 66, 2023
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3P39
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8JAY
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![BU of 8jay by Molmil](/molmil-images/mine/8jay) | CrtSPARTA Octamer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-07 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8JBA
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8J9P
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![BU of 8j9p by Molmil](/molmil-images/mine/8j9p) | SPARTA dimer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-04 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8J84
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![BU of 8j84 by Molmil](/molmil-images/mine/8j84) | Short ago complexed with TIR-APAZ | Descriptor: | Piwi domain-containing protein, TIR domain-containing protein | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-04-30 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8J9G
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![BU of 8j9g by Molmil](/molmil-images/mine/8j9g) | CrtSPARTA hetero-dimer bound with guide-target, state 1 | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-03 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8J8H
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![BU of 8j8h by Molmil](/molmil-images/mine/8j8h) | SPARTA monomer bound with guide-target, state 2 | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-01 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8K5N
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![BU of 8k5n by Molmil](/molmil-images/mine/8k5n) | Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy | Descriptor: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Xiao, Y.B. | Deposit date: | 2023-07-22 | Release date: | 2024-01-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy. J.Med.Chem., 66, 2023
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7DY7
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![BU of 7dy7 by Molmil](/molmil-images/mine/7dy7) | Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation | Descriptor: | 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. | Deposit date: | 2021-01-20 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation. J.Med.Chem., 65, 2022
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7VUN
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![BU of 7vun by Molmil](/molmil-images/mine/7vun) | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | Deposit date: | 2021-11-03 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents. Acta Pharm Sin B, 12, 2022
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