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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
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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
Descriptor: GLYCEROL, HISTIDINE, Huntingtin-interacting protein 14, ...
Authors:Gao, T, Collins, R.E, Horton, J.R, Zhang, R, Zhang, X, Cheng, X.
Deposit date:2008-10-09
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: hydrolase Ple629
Authors: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.
Deposit date:2021-10-15
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: CALCIUM ION, hydrolase Ple628
Authors: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.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, ACETATE ION, plastic degrading hydrolase Ple629
Authors: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.
Deposit date:2021-10-15
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: 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, ...
Authors:Chang, Y, Zhang, X, Horton, J.R, Cheng, X.
Deposit date:2009-01-05
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: PSH1, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Authors:Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
Deposit date:2021-12-01
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
Authors:Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
Deposit date:2021-12-01
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, PSH1
Authors:Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
Deposit date:2021-12-01
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
Authors:Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
Deposit date:2021-12-02
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
Authors:Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
Deposit date:2021-12-02
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1
Authors:Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
Deposit date:2022-03-06
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1
Authors:Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
Deposit date:2022-03-06
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: B38 Fab heavy chain, B38 Fab light chain, Spike protein S1
Authors:Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
Deposit date:2022-04-13
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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
Descriptor: 1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 6
Authors:Burke, J.E, Williams, R.L, Zhang, X.
Deposit date:2022-07-27
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (8.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, B38 Fab heavy chain, B38 Fab light chain, ...
Authors:Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J.
Deposit date:2022-04-13
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite: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
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CALCIUM ION, hydrolase
Authors: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.
Deposit date:2021-10-08
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 1-phosphatidylinositol phosphodiesterase, ZINC ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.477 Å)
Cite: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
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.495 Å)
Cite: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
Descriptor: 3C-like proteinase, FORMIC ACID, SODIUM ION
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.743 Å)
Cite: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
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.815 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Histone H3 peptide, M-phase phosphoprotein 8
Authors:Chang, Y, Horton, J.R, Bedford, M.T, Zhang, X, Cheng, X.
Deposit date:2011-02-09
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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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