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PDB: 1814 件
5GKA
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cryo-EM structure of human Aichi virus
分子名称: Genome polyprotein, capsid protein VP0, capsid protein VP1
著者Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I.
登録日2016-07-04
公開日2016-09-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
9PAP
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BU of 9pap by Molmil
STRUCTURE OF PAPAIN REFINED AT 1.65 ANGSTROMS RESOLUTION
分子名称: METHANOL, PAPAIN
著者Kamphuis, I.G, Drenth, J.
登録日1986-03-31
公開日1986-10-24
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of papain refined at 1.65 A resolution
J.Mol.Biol., 179, 1984
6I2K
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BU of 6i2k by Molmil
Structure of EV71 complexed with its receptor SCARB2
分子名称: 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, ...
著者Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I.
登録日2018-11-01
公開日2018-11-28
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
4CEY
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD
分子名称: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ...
著者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.
登録日2013-11-12
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDU
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BU of 4cdu by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
著者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.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CDQ
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2
分子名称: 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ...
著者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.
登録日2013-11-05
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
4CEW
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD
分子名称: 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ...
著者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.
登録日2013-11-12
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
4CDX
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12
分子名称: 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ...
著者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.
登録日2013-11-07
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
4CDW
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Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4
分子名称: 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ...
著者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.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
5ED9
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BU of 5ed9 by Molmil
Crystal structure of CC1 of mouse SUN2
分子名称: SUN domain-containing protein 2
著者Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W.
登録日2015-10-21
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
5E6N
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BU of 5e6n by Molmil
Crystal structure of C. elegans LGG-2
分子名称: Protein lgg-2
著者Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W.
登録日2015-10-10
公開日2016-01-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
5ED8
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BU of 5ed8 by Molmil
Crystal structure of CC2-SUN of mouse SUN2
分子名称: MAGNESIUM ION, MKIAA0668 protein
著者Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W.
登録日2015-10-21
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
5ABJ
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BU of 5abj by Molmil
Structure of Coxsackievirus A16 in complex with GPP3
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
著者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.
登録日2015-08-06
公開日2015-09-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses.
Plos Pathog., 11, 2015
4L8Z
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BU of 4l8z by Molmil
Crystal structure of Human Hsp90 with RL1
分子名称: 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
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4QPG
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BU of 4qpg by Molmil
Crystal structure of empty hepatitis A virus
分子名称: CHLORIDE ION, Capsid protein VP0, Capsid protein VP1, ...
著者Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
登録日2014-06-23
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
4QPI
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BU of 4qpi by Molmil
Crystal structure of hepatitis A virus
分子名称: CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ...
著者Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
登録日2014-06-23
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
分子名称: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
5ACA
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BU of 5aca by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-14
公開日2015-09-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
4L94
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Crystal structure of Human Hsp90 with S46
分子名称: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
5AC9
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BU of 5ac9 by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-14
公開日2015-09-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
4OEX
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BU of 4oex by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Ren, J, Xu, Y.C.
登録日2014-01-14
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
5D8A
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BU of 5d8a by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093F empty capsid
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-16
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design.
Nat.Struct.Mol.Biol., 22, 2015
5DDJ
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BU of 5ddj by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus O1M-S2093Y empty capsid
分子名称: Foot and mouth disease virus, VP1, VP2, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-25
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design.
Nat.Struct.Mol.Biol., 22, 2015
4L93
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Crystal structure of Human Hsp90 with S36
分子名称: 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone, Heat shock protein HSP 90-alpha
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Crystal structure of Human Hsp90 with S36
To be Published
4L90
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Crystal structure of Human Hsp90 with RL3
分子名称: Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone
著者Li, J, Ren, J, Yang, M, Xiong, B, He, J.
登録日2013-06-18
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of Human Hsp90 with RL3
to be published

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