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4N77
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BU of 4n77 by Molmil
Crystal structure of Cas protein
分子名称: Uncharacterized protein
著者Tian, W, Sheng, G, Zhao, H, Wang, J, Wang, Y.
登録日2013-10-15
公開日2014-10-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal strucute studies of CasD
To be Published
4KPY
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BU of 4kpy by Molmil
DNA binding protein and DNA complex structure
分子名称: DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), ...
著者Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
登録日2013-05-14
公開日2014-01-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N41
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BU of 4n41 by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA
分子名称: 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ...
著者Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
登録日2013-10-08
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
8I3S
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BU of 8i3s by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ...
著者Li, Z, Yu, F, Cao, S, ZHao, H.
登録日2023-01-17
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
5XP8
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BU of 5xp8 by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 4A5 on the guide strand
分子名称: DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(*CP*AP*AP*CP*C*AP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*AP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y.
登録日2017-06-01
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
5XQ2
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BU of 5xq2 by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 5A6 on the guide strand
分子名称: DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*AP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, D, Wang, Y.
登録日2017-06-06
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
5XOW
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BU of 5xow by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'A7' on the target strand
分子名称: DNA (5'-D(P*(TD)P*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*AP*CP*CP*UP*CP*G)-3'), ...
著者Sheng, G, Wang, J, Zhao, H, Wang, Y.
登録日2017-05-31
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
5XPA
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BU of 5xpa by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 9'U10' on the target strand
分子名称: DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, RNA (5'-R(P*AP*UP*AP*CP*AP*AP*CP*CP*GP*UP*UP*CP*UP*AP*CP*UP*CP*CP*G)-3'), ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y.
登録日2017-06-01
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
5XPG
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BU of 5xpg by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'U7' on the target strand
分子名称: 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*A P*GP*T)-3', 5'-R(*UP*AP*U*AP*CP*AP*AP*CP*CP*UP*AP*CP*AP*UP*AP*CP*CP*UP*CP* G)-3', MAGNESIUM ION, ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y.
登録日2017-06-02
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
分子名称: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
著者Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
登録日2017-10-22
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
5XOU
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BU of 5xou by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 7T8 on the guide strand
分子名称: DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*TP*GP*GP*TP*TP*GP*T)-3'), MAGNESIUM ION, ...
著者Sheng, G, Wang, J, Zhao, H, Wang, Y.
登録日2017-05-31
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
8HXB
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BU of 8hxb by Molmil
Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXC
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BU of 8hxc by Molmil
Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXA
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BU of 8hxa by Molmil
Cryo-EM structure of MPXV M2 in complex with human B7.1
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD80
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
7VDO
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BU of 7vdo by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-07
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85571563 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7VE7
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BU of 7ve7 by Molmil
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F
分子名称: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-08
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.720007 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7EJH
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BU of 7ejh by Molmil
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex
分子名称: 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72883928 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7EJJ
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BU of 7ejj by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex
分子名称: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.80000663 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7EJI
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BU of 7eji by Molmil
Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-04-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.560016 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
5IP0
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BU of 5ip0 by Molmil
PHA Binding Protein PhaP (Phasin)
分子名称: CADMIUM ION, PHA granule-associated protein
著者Chen, G.Q, Wang, X.Q, Zhao, H.Y.
登録日2016-03-09
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights on PHA Binding Protein PhaP from Aeromonas hydrophila
Sci Rep, 6, 2016
4GAH
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BU of 4gah by Molmil
Human acyl-CoA thioesterases 4 in complex with undecan-2-one-CoA inhibitor
分子名称: Thioesterase superfamily member 4, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2R)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
著者Lim, K, Pathak, M.C, Herzberg, O.
登録日2012-07-25
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Correlation of structure and function in the human hotdog-fold enzyme hTHEM4.
Biochemistry, 51, 2012
6M56
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BU of 6m56 by Molmil
Solution NMR Structure of Peptide P9R
分子名称: Peptide P9R
著者Yuen, K.Y, Zhao, H.J, Yung, T.M, Sze, K.H.
登録日2020-03-10
公開日2020-09-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A broad-spectrum virus- and host-targeting peptide against respiratory viruses including influenza virus and SARS-CoV-2.
Nat Commun, 11, 2020
4G2F
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BU of 4g2f by Molmil
Human EphA3 kinase domain in complex with compound 7
分子名称: 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2012-07-12
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
ACS MED.CHEM.LETT., 3, 2012
4PCE
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BU of 4pce by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13
分子名称: 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4
著者Dong, J, Caflisch, A.
登録日2014-04-15
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.293 Å)
主引用文献Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
4PCI
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BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
分子名称: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Dong, J, Caflisch, A.
登録日2014-04-15
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014

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