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6IRA
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BU of 6ira by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
3EU9
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BU of 3eu9 by Molmil
The ankyrin repeat domain of Huntingtin interacting protein 14
分子名称: GLYCEROL, HISTIDINE, Huntingtin-interacting protein 14, ...
著者Gao, T, Collins, R.E, Horton, J.R, Zhang, R, Zhang, X, Cheng, X.
登録日2008-10-09
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The ankyrin repeat domain of Huntingtin interacting protein 14 contains a surface aromatic cage, a potential site for methyl-lysine binding.
Proteins, 76, 2009
7VPA
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BU of 7vpa by Molmil
Crystal structure of Ple629 from marine microbial consortium
分子名称: hydrolase Ple629
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-15
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7VMD
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BU of 7vmd by Molmil
Crystal structure of a hydrolases Ple628 from marine microbial consortium
分子名称: CALCIUM ION, hydrolase Ple628
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7VPB
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BU of 7vpb by Molmil
Crystal structure of a novel hydrolase in apo form
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, ACETATE ION, plastic degrading hydrolase Ple629
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-15
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural insight and engineering of a plastic degrading hydrolase Ple629.
Biochem.Biophys.Res.Commun., 626, 2022
3FPD
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BU of 3fpd by Molmil
G9a-like protein lysine methyltransferase inhibition by BIX-01294
分子名称: Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine, ...
著者Chang, Y, Zhang, X, Horton, J.R, Cheng, X.
登録日2009-01-05
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for G9a-like protein lysine methyltransferase inhibition by BIX-01294.
Nat.Struct.Mol.Biol., 16, 2009
7W66
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BU of 7w66 by Molmil
Crystal structure of a PSH1 mutant in complex with ligand
分子名称: PSH1, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6C
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BU of 7w6c by Molmil
Crystal structure of a PSH1 in complex with ligand J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W69
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BU of 7w69 by Molmil
Crystal structure of a PSH1 mutant in complex with EDO
分子名称: 1,2-ETHANEDIOL, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6O
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BU of 7w6o by Molmil
Crystal structure of a PSH1 in complex with J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6Q
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BU of 7w6q by Molmil
Crystal structure of a PSH1 in complex with ligand J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7X63
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BU of 7x63 by Molmil
SARS-CoV-2-Beta-RBD and BD-236-GWP/P-VK antibody complex
分子名称: BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-03-06
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献SARS-CoV-2-Beta-RBD and BD-236-GWP/P-VK antibody complex
To Be Published
7X66
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BU of 7x66 by Molmil
SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex
分子名称: BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-03-06
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex
To Be Published
7XIK
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BU of 7xik by Molmil
SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
分子名称: B38 Fab heavy chain, B38 Fab light chain, Spike protein S1
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-04-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
To Be Published
3EA3
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BU of 3ea3 by Molmil
Crystal Structure of the Y246S/Y247S/Y248S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface.
J.Biol.Chem., 284, 2009
8AJ8
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BU of 8aj8 by Molmil
Structure of p110 gamma bound to the p84 regulatory subunit
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 6
著者Burke, J.E, Williams, R.L, Zhang, X.
登録日2022-07-27
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (8.5 Å)
主引用文献Molecular basis for differential activation of p101 and p84 complexes of PI3K gamma by Ras and GPCRs.
Cell Rep, 42, 2023
7XIL
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BU of 7xil by Molmil
SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B38 Fab heavy chain, B38 Fab light chain, ...
著者Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
登録日2022-04-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
To Be Published
3EA2
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BU of 3ea2 by Molmil
Crystal Structure of the Myo-inositol bound Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
7VME
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BU of 7vme by Molmil
Crystal structure of a hydrolase in apo form 2
分子名称: CALCIUM ION, hydrolase
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-08
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of a hydrolase in apo form 2
to be published
3EA1
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BU of 3ea1 by Molmil
Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1-phosphatidylinositol phosphodiesterase, ZINC ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
7NTS
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BU of 7nts by Molmil
Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-10
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NTQ
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BU of 7ntq by Molmil
Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-10
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
7NTT
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BU of 7ntt by Molmil
Crystal structure of the SARS-CoV-2 Main Protease
分子名称: 3C-like proteinase, FORMIC ACID, SODIUM ION
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-10
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.743 Å)
主引用文献Crystal structure of the SARS-CoV-2 Main Protease
To Be Published
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
3QO2
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BU of 3qo2 by Molmil
Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9
分子名称: 1,2-ETHANEDIOL, Histone H3 peptide, M-phase phosphoprotein 8
著者Chang, Y, Horton, J.R, Bedford, M.T, Zhang, X, Cheng, X.
登録日2011-02-09
公開日2011-04-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9: potential effect of phosphorylation on methyl-lysine binding.
J.Mol.Biol., 408, 2011

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