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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
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
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
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
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
Authors:Shen, L, Zhang, Y.
Deposit date:2016-05-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
6FPG
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BU of 6fpg by Molmil
Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin
Descriptor: CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ...
Authors:Altegoer, F, Steinchen, W, Bange, G.
Deposit date:2018-02-09
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
6FPF
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BU of 6fpf by Molmil
Structure of the Ustilago maydis chorismate mutase 1
Descriptor: Chromosome 16, whole genome shotgun sequence, MANGANESE (II) ION
Authors:Altegoer, F, Steinchen, W, Bange, G.
Deposit date:2018-02-09
Release date:2019-01-16
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
6H3P
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BU of 6h3p by Molmil
Crystal structure of the cytoplasmic chorismate mutase from Zea mays
Descriptor: Chorismate mutase
Authors:Altegoer, F, Bange, G.
Deposit date:2018-07-19
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
8XFD
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BU of 8xfd by Molmil
Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348)
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ...
Authors:Sun, R, Achour, A.
Deposit date:2023-12-13
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Crystals, 2024
6HJW
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BU of 6hjw by Molmil
Crystal structure of the chloroplast chorismate mutase from Zea mays
Descriptor: Chorismate mutase, TYROSINE
Authors:Altegoer, F, Bange, G.
Deposit date:2018-09-04
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
5XS2
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BU of 5xs2 by Molmil
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Zhou, Z, Xu, Z.
Deposit date:2017-06-12
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
Deposit date:2017-04-16
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5J4U
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BU of 5j4u by Molmil
Crystal structure of a glutathione S-transferase PtGSTU30 from Populus trichocarpa in complex with GSH
Descriptor: GLUTATHIONE, Glutathione transferase family protein
Authors:Yang, Q, Gu, J, Yang, M, Zeng, Q.
Deposit date:2016-04-01
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Functional and Structural Profiles of GST Gene Family from Three Populus Species Revealed the Sequence-function Decoupling of Orthologous Genes
To Be Published
7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-03-18
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
8WC4
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BU of 8wc4 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex
Descriptor: 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC3
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BU of 8wc3 by Molmil
Cryo-EM structure of the SEP363856-bound mTAAR1-Gs complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC5
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BU of 8wc5 by Molmil
Cryo-EM structure of the TMA-bound mTAAR1-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WCA
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BU of 8wca by Molmil
Cryo-EM structure of the PEA-bound hTAAR1-Gs complex
Descriptor: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC9
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BU of 8wc9 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex
Descriptor: 2-(4-bromophenyl)ethanamine, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC8
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BU of 8wc8 by Molmil
Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex
Descriptor: 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC6
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BU of 8wc6 by Molmil
Cryo-EM structure of the PEA-bound mTAAR1-Gs complex
Descriptor: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
Deposit date:2023-09-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023

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