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7Y0I
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Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide
分子名称: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION
著者Yu, M, Zeng, L.
登録日2022-06-05
公開日2022-10-12
実験手法SOLUTION NMR
主引用文献Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer.
Front Oncol, 12, 2022
8I8F
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BU of 8i8f by Molmil
Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION
著者Shi, X, Liu, W.
登録日2023-02-04
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
7XTV
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BU of 7xtv by Molmil
The structure of MHET-bound TfCut S130A
分子名称: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTU
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BU of 7xtu by Molmil
The structure of TfCut S130A
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTW
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BU of 7xtw by Molmil
The structure of IsPETase in complex with MHET
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTR
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BU of 7xtr by Molmil
The apo structure of the engineered TfCut
分子名称: GLYCEROL, LITHIUM ION, SULFATE ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTS
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BU of 7xts by Molmil
The apo structure of the engineered TfCut S130A
分子名称: SODIUM ION, alpha/beta hydrolase
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTT
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BU of 7xtt by Molmil
The structure of engineered TfCut S130A in complex with MHET
分子名称: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7ULA
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BU of 7ula by Molmil
Structure of the Pseudomonas putida AlgKX modification and secretion complex
分子名称: Alginate biosynthesis protein AlgK, Alginate biosynthesis protein AlgX, CHLORIDE ION, ...
著者Gheorghita, A.A, Li, E.Y, Pfoh, R, Howell, P.L.
登録日2022-04-04
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure of the AlgKX modification and secretion complex required for alginate production and biofilm attachment in Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7WX2
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BU of 7wx2 by Molmil
CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7WWZ
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BU of 7wwz by Molmil
BRD4-BD1 complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7CR2
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BU of 7cr2 by Molmil
human KCNQ2 in complex with retigabine
分子名称: Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
著者Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
登録日2020-08-12
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7C9O
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BU of 7c9o by Molmil
Crystal structure of DNA-bound CCT/NF-YB/YC complex (HD1CCT/GHD8/OsNF-YC2)
分子名称: DNA (25-MER), Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2, ...
著者Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P.
登録日2020-06-06
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
7CR7
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BU of 7cr7 by Molmil
human KCNQ2-CaM in complex with retigabine
分子名称: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
著者Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
登録日2020-08-12
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR0
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BU of 7cr0 by Molmil
human KCNQ2 in apo state
分子名称: Potassium voltage-gated channel subfamily KQT member 2
著者Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
登録日2020-08-12
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR3
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BU of 7cr3 by Molmil
human KCNQ2-CaM in apo state
分子名称: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2
著者Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
登録日2020-08-12
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7C9P
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BU of 7c9p by Molmil
Crystal structure of rice histone-fold dimer GHD8/OsNF-YC2
分子名称: Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2
著者Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P.
登録日2020-06-06
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
7CR4
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BU of 7cr4 by Molmil
human KCNQ2-CaM in complex with ztz240
分子名称: Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
登録日2020-08-12
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CR1
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BU of 7cr1 by Molmil
human KCNQ2 in complex with ztz240
分子名称: N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
登録日2020-08-12
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7CB0
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BU of 7cb0 by Molmil
The apo 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB5
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BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
分子名称: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7C8P
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BU of 7c8p by Molmil
Structural and functional characterization of human group A rotavirus P[25] VP8*
分子名称: Outer capsid protein VP4
著者Duan, Z, Dandi, L.
登録日2020-06-03
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human group A rotavirus P[25] VP8* specifically binds to A-type histo-blood group antigen.
Virology, 555, 2021
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7DCT
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BU of 7dct by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)
分子名称: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3'), Heat shock factor protein 1, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCJ
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BU of 7dcj by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
分子名称: DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3'), Heat shock factor protein 1, SODIUM ION
著者Feng, N, Liu, W.
登録日2020-10-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021

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