8QRG
| SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-10-07 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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3ME4
| Crystal structure of mouse RANK | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Walter, S.W, Liu, C, Zhu, X, Wu, Y, Owens, R.J, Stuart, D.I, Gao, B, Ren, J. | Deposit date: | 2010-03-31 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and Functional Insights of RANKL-RANK Interaction and Signaling. J.Immunol., 2010
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6G95
| Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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8S7C
| Ternary Complex of Cachd1, FZD5 and LRP6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-5, ... | Authors: | Zhao, Y, Ren, J, Jones, E.Y. | Deposit date: | 2024-02-29 | Release date: | 2024-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (4.7 Å) | Cite: | Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain. Science, 384, 2024
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6G9I
| Crystal structure of Ebolavirus glycoprotein in complex with clomipramine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, Envelope glycoprotein,Envelope glycoprotein, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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6I2K
| Structure of EV71 complexed with its receptor SCARB2 | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I. | Deposit date: | 2018-11-01 | Release date: | 2018-11-28 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2. Nat Microbiol, 4, 2019
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3ME2
| Crystal structure of mouse RANKL-RANK complex | Descriptor: | CHLORIDE ION, SODIUM ION, Tumor necrosis factor ligand superfamily member 11, ... | Authors: | Walter, S.W, Liu, C.Z, Zhu, X.K, Wu, Y, Owens, R.J, Stuart, D.I, Gao, B, Ren, J. | Deposit date: | 2010-03-31 | Release date: | 2010-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Functional Insights of RANKL-RANK Interaction and Signaling. J.Immunol., 2010
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4CEY
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CDU
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-06 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CDX
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12 | Descriptor: | 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-07 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules. Nat.Struct.Mol.Biol., 21, 2014
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4CDW
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4 | Descriptor: | 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-06 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CDQ
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-05 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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4CEW
| Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | Descriptor: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules. Nat.Struct.Mol.Biol., 21, 2014
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6W6Z
| BlsA ground state | Descriptor: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | Authors: | Chitrakar, I, French, J.B. | Deposit date: | 2020-03-18 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA. Acs Infect Dis., 6, 2020
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6W72
| BlsA photo-activated state | Descriptor: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | Authors: | Chitrakar, I, French, J.B. | Deposit date: | 2020-03-18 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA. Acs Infect Dis., 6, 2020
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8A2E
| Crystal Structure of Human Parechovirus 3 2A protein | Descriptor: | 2A protein, GLYCEROL, SULFATE ION | Authors: | von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural plasticity of 2A proteins in the Parechovirus family. To Be Published
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4L8Z
| Crystal structure of Human Hsp90 with RL1 | Descriptor: | Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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5WTF
| Cryo-EM structure for Hepatitis A virus empty particle | Descriptor: | VP0, VP1, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTH
| Cryo-EM structure for Hepatitis A virus complexed with FAB | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-12 | Release date: | 2017-01-25 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTE
| Cryo-EM structure for Hepatitis A virus full particle | Descriptor: | VP1, VP2, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ABJ
| Structure of Coxsackievirus A16 in complex with GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | Authors: | De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-08-06 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses. Plos Pathog., 11, 2015
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5WTG
| Crystal structure of the Fab fragment of anti-HAV antibody R10 | Descriptor: | FAB Heavy chain, FAB Light chain | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.907 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4L91
| Crystal structure of Human Hsp90 with X29 | Descriptor: | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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4L94
| Crystal structure of Human Hsp90 with S46 | Descriptor: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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4L93
| Crystal structure of Human Hsp90 with S36 | Descriptor: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Crystal structure of Human Hsp90 with S36 To be Published
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