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1EQX
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BU of 1eqx by Molmil
SOLUTION STRUCTURE DETERMINATION AND MUTATIONAL ANALYSIS OF THE PAPILLOMAVIRUS E6-INTERACTING PEPTIDE OF E6AP
Descriptor: PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN
Authors:Be, X, Hong, Y, Androphy, E.J, Chen, J.J, Baleja, J.D.
Deposit date:2000-04-06
Release date:2001-02-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure determination and mutational analysis of the papillomavirus E6 interacting peptide of E6AP.
Biochemistry, 40, 2001
5XOB
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BU of 5xob by Molmil
Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)
Descriptor: MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
Authors:Dong, J.
Deposit date:2017-05-27
Release date:2018-08-29
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
7MW4
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BU of 7mw4 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW6
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BU of 7mw6 by Molmil
Structure of the SARS-CoV-2 Spike trimer with three RBDs up in complex with the Fab fragment of human neutralizing antibody clone 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW2
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BU of 7mw2 by Molmil
Structure of the SARS-CoV-2 Spike trimer with all RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of antibody clone 6, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW5
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BU of 7mw5 by Molmil
Structure of the SARS-CoV-2 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody clone 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of antibody clone 2, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
7MW3
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BU of 7mw3 by Molmil
Structure of the SARS-CoV-2 Spike trimer with two RBDs down in complex with the Fab fragment of human neutralizing antibody clone 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2021-05-15
Release date:2022-03-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Monospecific and bispecific monoclonal SARS-CoV-2 neutralizing antibodies that maintain potency against B.1.617.
Nat Commun, 13, 2022
4YQH
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BU of 4yqh by Molmil
2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A
Descriptor: 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D, Herman, L, Wang, T.
Deposit date:2015-03-13
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.308 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
4YS7
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BU of 4ys7 by Molmil
Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
Descriptor: 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D.F, Herman, L, Wang, T.
Deposit date:2015-03-16
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
6AGG
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BU of 6agg by Molmil
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
Descriptor: ACETATE ION, AGMATINE, AMMONIUM ION, ...
Authors:Dong, J.S, Gong, W.M.
Deposit date:2018-08-11
Release date:2018-09-05
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
6AKW
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BU of 6akw by Molmil
Crystal structure of RNA dioxygenase bound with an inhibitor
Descriptor: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO
Authors:Yang, C.-G, Huang, Y, Gan, J.
Deposit date:2018-09-04
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
6JI0
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BU of 6ji0 by Molmil
Structure of RyR2 (F/A/C/Ca2+ dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-19
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-24
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRS
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BU of 6jrs by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-05
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6K9H
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BU of 6k9h by Molmil
Human LXR-beta in complex with an agonist
Descriptor: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-06-15
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
6JV2
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BU of 6jv2 by Molmil
Structure of RyR2 (P/L-Ca2+/Ca2+-CaM dataset)
Descriptor: CALCIUM ION, Calmodulin-1, RyR2, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-15
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6K9G
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BU of 6k9g by Molmil
Human LXR-beta in complex with an agonist
Descriptor: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-06-15
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
6JRR
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BU of 6jrr by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+ dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-05
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019

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