7XCZ
 
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7XDK
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... | | Authors: | Liu, Z, Lui, S, Gao, Y. | | Deposit date: | 2022-03-27 | | Release date: | 2023-03-01 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDB
 | | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... | | Authors: | Liu, Z, Liu, S, Gao, Y.Z. | | Deposit date: | 2022-03-26 | | Release date: | 2023-03-01 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7XDA
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7XDL
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... | | Authors: | Liu, Z, Liu, S, Yuanzhu, G. | | Deposit date: | 2022-03-27 | | Release date: | 2023-03-15 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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8INZ
 | | Cryo-EM structure of human HCN3 channel in apo state | | Descriptor: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | | Authors: | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | | Deposit date: | 2023-03-10 | | Release date: | 2024-04-10 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
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8IO0
 | | Cryo-EM structure of human HCN3 channel with cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | | Authors: | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | | Deposit date: | 2023-03-10 | | Release date: | 2024-11-13 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
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8GYN
 | | zebrafish TIPE1 strucutre in complex with PE | | Descriptor: | Tumor necrosis factor alpha-induced protein 8-like protein 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Wang, W, Cao, S.J. | | Deposit date: | 2022-09-23 | | Release date: | 2023-04-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural insight into TIPE1 functioning as a lipid transfer protein.
J.Biomol.Struct.Dyn., 41, 2023
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7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | Descriptor: | 3C protease, ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
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7EO7
 | | 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
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7EO8
 | | 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
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7DQZ
 | | 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
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7XRY
 | | Crystal structure of MERS main protease in complex with inhibitor YH-53 | | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2022-05-12 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7XRS
 | | Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53 | | Descriptor: | N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-05-11 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7YGQ
 | | Crystal structure of SARS main protease in complex with inhibitor YH-53 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-07-12 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
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7VD4
 | | Crystal structure of BPTF-BRD with ligand TP248 bound | | Descriptor: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B. | | Deposit date: | 2021-09-06 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85659146 Å) | | Cite: | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
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7CL0
 | | Crystal structure of human SIRT6 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Song, K, Zhang, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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7CL1
 | | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Song, K, Zhang, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-24 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
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8YBN
 | | Crystal structure of nanobody SEB-Nb8 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb8 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8YBO
 | | Crystal structure of nanobody SEB-Nb11 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb11 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8YBM
 | | Crystal structure of nanobody SEB-Nb6 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb6 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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2JQC
 | | A L-amino acid mutant of a D-amino acid containing conopeptide | | Descriptor: | L-mr12 | | Authors: | Huang, F, Du, W, Han, Y, Wang, C, Chi, C. | | Deposit date: | 2007-05-31 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
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5W54
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8GXP
 | | Complex structure of RORgama with betulinic acid | | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | | Authors: | Zhang, X.L, Xu, C, Bai, F. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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7ELG
 | | LC3B modificated with a covalent probe | | Descriptor: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | | Authors: | Fan, S, Wan, W. | | Deposit date: | 2021-04-10 | | Release date: | 2021-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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