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PDB: 14 件
3P31
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BU of 3p31 by Molmil
Crystal structure of the NS1 effector domain from influenza A/Vietnam/1203/2004 (H5N1) virus
分子名称: Nonstructural protein 1, THIOCYANATE ION
著者Chen, S, Xiao, Y.B, Ponnusamy, R, Hilgenfeld, R.
登録日2010-10-04
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
3P38
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Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
分子名称: Nonstructural protein 1
著者Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
登録日2010-10-04
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
7V1T
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BU of 7v1t by Molmil
A dual Inhibitor Against Main Protease
分子名称: 3C-like proteinase, 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide
著者Yu, W.Y, Xiao, Y.B, Zhao, Y.C.
登録日2021-08-06
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.562 Å)
主引用文献SARS-CoV-2 Mpro complex with inhibitor
To Be Published
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
分子名称: (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
著者Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
3P39
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BU of 3p39 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
分子名称: Nonstructural protein 1
著者Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
登録日2010-10-04
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
8JAY
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BU of 8jay by Molmil
CrtSPARTA Octamer bound with guide-target
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R.
登録日2023-05-07
公開日2024-03-20
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8JBA
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BU of 8jba by Molmil
Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
分子名称: (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
著者Cheng, Y, Xiao, Y.B.
登録日2023-05-08
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
8J9P
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BU of 8j9p by Molmil
SPARTA dimer bound with guide-target
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
登録日2023-05-04
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J84
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Short ago complexed with TIR-APAZ
分子名称: Piwi domain-containing protein, TIR domain-containing protein
著者Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R.
登録日2023-04-30
公開日2024-03-13
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J9G
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BU of 8j9g by Molmil
CrtSPARTA hetero-dimer bound with guide-target, state 1
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
登録日2023-05-03
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J8H
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BU of 8j8h by Molmil
SPARTA monomer bound with guide-target, state 2
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
登録日2023-05-01
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
分子名称: 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
著者Cheng, Y, Xiao, Y.B.
登録日2023-07-22
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
7DY7
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BU of 7dy7 by Molmil
Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation
分子名称: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1
著者Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B.
登録日2021-01-20
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
分子名称: (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
著者Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
登録日2021-11-03
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022

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件を2024-07-17に公開中

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