8Z40
 
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8Z3K
 | | The structure of type III CRISPR-associated deaminase in complex 2cA6-2ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine deaminase domain-containing protein, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), ... | | Authors: | Chen, M.R, Li, Z.X, Xiao, Y.B. | | Deposit date: | 2024-04-15 | | Release date: | 2024-12-11 | | Last modified: | 2025-03-05 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Antiviral signaling of a type III CRISPR-associated deaminase.
Science, 387, 2025
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8Z3R
 | | The structure of type III CRISPR-associated deaminase in complex cA4 | | Descriptor: | 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Adenosine deaminase domain-containing protein, ZINC ION | | Authors: | Chen, M.R, Li, Z.X, Xiao, Y.B. | | Deposit date: | 2024-04-16 | | Release date: | 2024-12-25 | | Last modified: | 2025-03-05 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | Antiviral signaling of a type III CRISPR-associated deaminase.
Science, 387, 2025
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8Z3P
 | | The structure of type III CRISPR-associated deaminase in complex cA6 and ATP, fully activated | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine deaminase domain-containing protein, MAGNESIUM ION, ... | | Authors: | Chen, M.R, Li, Z.X, Xiao, Y.B. | | Deposit date: | 2024-04-15 | | Release date: | 2024-12-25 | | Last modified: | 2025-03-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Antiviral signaling of a type III CRISPR-associated deaminase.
Science, 387, 2025
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9IX4
 | | Cryo-EM structure of Lactobacillus casei DdmD dimer bound with DNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*TP*GP*AP*GP*TP*AP*TP*AP*TP*CP*C)-3'), ... | | Authors: | Huang, P.P, Chen, M.R, Xiao, Y.B. | | Deposit date: | 2024-07-26 | | Release date: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | The mechanism of bacterial defense system DdmDE from Lactobacillus casei.
Cell Res., 34, 2024
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9IXM
 | | Cryo-EM structure of Lactobacillus casei DdmDE bound with DNA | | Descriptor: | DNA (30-MER), DNA (5'-D(P*TP*GP*AP*CP*GP*GP*CP*TP*CP*TP*AP*AP*TP*CP*T)-3'), DdmD, ... | | Authors: | Huang, P.P, Chen, M.R, Xiao, Y.B. | | Deposit date: | 2024-07-29 | | Release date: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | The mechanism of bacterial defense system DdmDE from Lactobacillus casei.
Cell Res., 34, 2024
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9IW3
 | | Cryo-EM structure of Lactobacillus casei DdmE bound with guide and target | | Descriptor: | DNA (25-MER), DNA (5'-D(P*CP*TP*TP*GP*AP*TP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*TP*GP*AP*CP*GP*GP*CP*TP*CP*TP*AP*AP*TP*CP*T)-3'), ... | | Authors: | Huang, P.P, Chen, M.R, Xiao, Y.B. | | Deposit date: | 2024-07-25 | | Release date: | 2025-01-01 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | The mechanism of bacterial defense system DdmDE from Lactobacillus casei.
Cell Res., 34, 2024
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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 | | Last modified: | 2024-10-23 | | 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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9INU
 | | Novel PD-L1/VISTA dual inhibitor as potential immunotherapy agents | | Descriptor: | (2~{S})-2-[[6-methoxy-2-[(2-methyl-3-phenyl-phenyl)amino]pyrimidin-4-yl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Xiao, Y.B. | | Deposit date: | 2024-07-08 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel PD-L1/VISTA Dual Inhibitor as Potential Immunotherapy Agents.
J.Med.Chem., 68, 2025
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3P31
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3P38
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3P39
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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: | 2024-10-16 | | 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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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
 | | Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors | | Descriptor: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Xiao, Y.B. | | Deposit date: | 2023-05-08 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
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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
 | | 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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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
 | | 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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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: | 2024-10-09 | | 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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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: | 2024-11-13 | | 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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8JR8
 | | MapSPARTA dimer bound with guide-target | | Descriptor: | DNA (25-MER), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | | Authors: | Huang, P.P, Li, Z.X, Guo, L.J, Xiao, Y.B, Chen, M.R. | | Deposit date: | 2023-06-16 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Cryo-EM Structure of MapSPARTA
To Be Published
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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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8WP2
 | | MapSPARTA tetramer bound with guide-target | | Descriptor: | DNA (25-MER), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | | Authors: | Huang, P.P, Li, Z.X, Guo, L.J, Xiao, Y.B, Chen, M.R. | | Deposit date: | 2023-10-08 | | Release date: | 2024-12-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM Structure of MapSPARTA
To Be Published
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