3FZK
 
 | | Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | | Descriptor: | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 1, ... | | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
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6LAT
 | | The cryo-EM structure of HEV VLP | | Descriptor: | Protein ORF2 | | Authors: | Zheng, Q, He, M, Li, S. | | Deposit date: | 2019-11-13 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
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5XJS
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6KPP
 | | BNC105 in complex with tubulin | | Descriptor: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, T, Wu, C, Pu, D. | | Deposit date: | 2019-08-15 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.74524117 Å) | | Cite: | Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
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7DHJ
 | | The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase | | Authors: | Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X. | | Deposit date: | 2020-11-15 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
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6LHB
 | | The cryo-EM structure of coxsackievirus A16 A-particle | | Descriptor: | VP1, VP2, VP3 | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-07 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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7VUP
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6LHC
 | | The cryo-EM structure of coxsackievirus A16 empty particle | | Descriptor: | VP1, VP2, VP3 | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-07 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LHL
 | | The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7 | | Descriptor: | VP1 protein, VP2 protein, VP3 protein | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-09 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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8HL9
 | | Crystal structure of Galectin-8 C-CRD with part of linker | | Descriptor: | Galectin-8 | | Authors: | Si, Y.L. | | Deposit date: | 2022-11-29 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Linker remodels human Galectin-8 structure and regulates its hemagglutination and pro-apoptotic activity.
Int.J.Biol.Macromol., 245, 2023
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6LHP
 | | The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10 | | Descriptor: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-09 | | Release date: | 2020-02-05 | | Last modified: | 2020-02-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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7VUQ
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3G49
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5XJR
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6LHO
 | | The cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab 18A7 | | Descriptor: | VP1 protein, VP2 protein, VP3 protein | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-09 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6LB0
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8K3G
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7LZ7
 | | Tubulin-RB3_SLD-TTL in complex with compound 5k | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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7LZ8
 | | Tubulin-RB3_SLD-TTL in complex with compound 5t | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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5XJQ
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8H53
 | | Human asparaginyl-tRNA synthetase in complex with asparagine-AMP | | Descriptor: | 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ... | | Authors: | Park, J.S, Han, B.W. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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6LHK
 | | The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 18A7 | | Descriptor: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-09 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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6KZ6
 | | Crystal structure of ASFV dUTPase | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION | | Authors: | Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W. | | Deposit date: | 2019-09-23 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family.
J.Virol., 94, 2020
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6LDZ
 | | Crystal structure of Rv0222 from Mycobacterium tuberculosis | | Descriptor: | Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase) | | Authors: | Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H. | | Deposit date: | 2019-11-23 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
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6LHA
 | | The cryo-EM structure of coxsackievirus A16 mature virion | | Descriptor: | SPHINGOSINE, VP1 protein, VP2 protein, ... | | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | | Deposit date: | 2019-12-07 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
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