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7NTW
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BU of 7ntw by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.815 Å)
主引用文献Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
To Be Published
5CP7
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BU of 5cp7 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides
分子名称: Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
6MS7
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BU of 6ms7 by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
分子名称: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
著者Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E.
登録日2018-10-16
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
1NGN
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BU of 1ngn by Molmil
Mismatch repair in methylated DNA. Structure of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
分子名称: methyl-CpG binding protein MBD4
著者Wu, P, Qiu, C, Sohail, A, Zhang, X, Bhagwat, A.S, Cheng, X.
登録日2002-12-17
公開日2003-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mismatch repair in methylated DNA. Structure and activity of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
J.Biol.Chem., 278, 2003
4QWQ
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BU of 4qwq by Molmil
Crystal structure of the DNA-binding domain of the response regulator SaeR from Staphylococcus aureus
分子名称: Response regulator SaeR
著者Fan, X, Zhu, Y, Zhang, X, Teng, M, Li, X.
登録日2014-07-17
公開日2015-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure of the DNA-binding domain of the response regulator SaeR from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
登録日2016-09-12
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
8FLK
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BU of 8flk by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2
分子名称: 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP
著者Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
登録日2022-12-21
公開日2023-11-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
8FLM
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BU of 8flm by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53
分子名称: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ...
著者Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
登録日2022-12-21
公開日2023-11-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
6S8F
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BU of 6s8f by Molmil
Structure of nucleotide-bound Tel1/ATM
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1
著者Yates, L.A, Williams, R.M, Ayala, R, Zhang, X.
登録日2019-07-09
公開日2019-10-30
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM Structure of Nucleotide-Bound Tel1ATMUnravels the Molecular Basis of Inhibition and Structural Rationale for Disease-Associated Mutations.
Structure, 28, 2020
4R2E
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BU of 4r2e by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with methylated DNA
分子名称: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-11
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
4R2R
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BU of 4r2r by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with carboxylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-12
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
4R2P
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BU of 4r2p by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with hydroxymethylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5HC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5HC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-12
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.788 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
4R2A
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BU of 4r2a by Molmil
Egr1/Zif268 zinc fingers in complex with methylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-11
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
5CG9
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BU of 5cg9 by Molmil
NgTET1 in complex with 5mC DNA in space group P3221
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DNA (5'-D(*TP*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), ...
著者Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X.
登録日2015-07-09
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA.
Nucleic Acids Res., 43, 2015
4R2D
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BU of 4r2d by Molmil
Egr1/Zif268 zinc fingers in complex with formylated DNA
分子名称: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5FC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Early growth response protein 1, ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-11
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
5CG8
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BU of 5cg8 by Molmil
NgTET1 in complex with 5hmC DNA
分子名称: 2-OXOGLUTARIC ACID, DNA (5'-D(*AP*GP*AP*AP*TP*TP*CP*CP*GP*TP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*(5HC)P*GP*GP*AP*AP*TP*TP*CP*T)-3'), ...
著者Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X.
登録日2015-07-09
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA.
Nucleic Acids Res., 43, 2015
8DOL
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BU of 8dol by Molmil
Mechanism of regulation of the Helicobacter pylori Cagbeta ATPase by CagZ
分子名称: Cag pathogenicity island protein (Cag5), DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Wu, X, Zhao, Y, Yang, W, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Zhang, X, Wu, Y.
登録日2022-07-13
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of regulation of the Helicobacter pylori Cag beta ATPase by CagZ.
Nat Commun, 14, 2023
4R2C
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BU of 4r2c by Molmil
Egr1/Zif268 zinc fingers in complex with hydroxymethylated DNA
分子名称: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5HC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5HC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), Early growth response protein 1, ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-11
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
4R2S
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BU of 4r2s by Molmil
Wilms Tumor Protein (WT1) Q369P zinc fingers in complex with methylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-12
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.489 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
4R2Q
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BU of 4r2q by Molmil
Wilms Tumor Protein (WT1) zinc fingers in complex with formylated DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5FC)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Hashimoto, H, Olanrewaju, Y.O, Zheng, Y, Wilson, G.G, Zhang, X, Cheng, X.
登録日2014-08-12
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Wilms tumor protein recognizes 5-carboxylcytosine within a specific DNA sequence.
Genes Dev., 28, 2014
8H3G
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BU of 8h3g by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3L
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BU of 8h3l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3K
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ...
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
3SVM
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BU of 3svm by Molmil
Human MPP8 - human DNMT3AK47me2 peptide
分子名称: DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8
著者Chang, Y, Horton, J.R, Zhang, X, Cheng, X.
登録日2011-07-12
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011

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