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7U8J
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Crystal structure of chimeric hemagglutinin cH4/3 in complex with broad protective antibody 31.a.83
分子名称: Antibody Fab light chain, Hemagglutinin HA1 subunit, Hemagglutinin HA2 subunit, ...
著者Zhu, X, Wilson, I.A.
登録日2022-03-08
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.9 Å)
主引用文献Influenza chimeric hemagglutinin structures in complex with broadly protective antibodies to the stem and trimer interface.
Proc.Natl.Acad.Sci.USA, 119, 2022
1E1X
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027
分子名称: 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
著者Endicott, J.A, Noble, M.E.M, Johnson, L.N.
登録日2000-05-11
公開日2001-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
1E1V
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058
分子名称: 6-O-CYCLOHEXYLMETHYL GUANINE, CYCLIN-DEPENDENT PROTEIN KINASE 2
著者Endicott, J.A, Noble, M.E.M, Johnson, L.N.
登録日2000-05-11
公開日2001-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of Novel Purine and Pyrimidine Cyclin-Dependent Kinase Inhibitors with Distinct Molecular Interactions and Tumor Cell Growth Inhibition Profiles.
J.Med.Chem., 43, 2000
8WCP
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BU of 8wcp by Molmil
Cryo-EM structure of human disease-associated P301L Tau amyloid fibril from mouse brain
分子名称: Island A, Island B, P301L Tau amyloid fibril from rTg4510 mice
著者Liu, K.E, Zhao, W.B, Liu, C.
登録日2023-09-13
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Cryo-EM structures reveal variant Tau amyloid fibrils between the rTg4510 mouse model and sporadic human tauopathies.
Cell Discov, 10, 2024
6X3N
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Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3O
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Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6XDM
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BU of 6xdm by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-06-11
公開日2020-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.
Acs Med.Chem.Lett., 11, 2020
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6GK8
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BU of 6gk8 by Molmil
Crystal structure of anti-tau antibody dmCBTAU-28.1, double mutant (S32R, E35K) of CBTAU-28.1, in complex with Tau peptide A7731 (residues 52-71)
分子名称: CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71)
著者Steinbacher, S, Mrosek, M, Juraszek, J.
登録日2018-05-18
公開日2018-06-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6GK7
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Crystal structure of anti-tau antibody dmCBTAU-27.1, double mutant (S31Y, T100I) of CBTAU-27.1, in complex with Tau peptide A8119B (residues 299-318)
分子名称: CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-27.1(S31Y,T100I), HUMAN TAU PEPTIDE A8119 RESIDUES 299-318
著者Steinbacher, S, Mrosek, M, Juraszek, J.
登録日2018-05-18
公開日2018-06-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6XC7
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BU of 6xc7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.3 and CR3022
分子名称: CC12.3 heavy chain, CC12.3 light chain, CR3022 heavy chain, ...
著者Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A.
登録日2020-06-08
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.883 Å)
主引用文献Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
6XC2
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC12.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 heavy chain, CC12.1 light chain, ...
著者Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A.
登録日2020-06-08
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.112 Å)
主引用文献Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
6XC4
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC12.3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 heavy chain, CC12.3 light chain, ...
著者Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A.
登録日2020-06-08
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
6XC3
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BU of 6xc3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.1 and CR3022
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 heavy chain, CC12.1 light chain, ...
著者Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A.
登録日2020-06-08
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
6CFG
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BU of 6cfg by Molmil
Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Kadam, R.U, Wilson, I.A.
登録日2018-02-14
公開日2019-02-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
6CF7
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BU of 6cf7 by Molmil
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Kadam, R.U, Wilson, I.A.
登録日2018-02-13
公開日2019-02-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.719 Å)
主引用文献A small-molecule fusion inhibitor of influenza virus is orally active in mice.
Science, 363, 2019
5T0D
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BU of 5t0d by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 3'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ...
著者Wilson, I.A, Tzarum, N, Zhu, X.
登録日2016-08-15
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.864 Å)
主引用文献A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5T08
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Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain
著者Wilson, I.A, Tzarum, N, Zhu, X.
登録日2016-08-15
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1895 Å)
主引用文献A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5T0E
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BU of 5t0e by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ...
著者Wilson, I.A, Tzarum, N, Zhu, X.
登録日2016-08-15
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5T0B
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BU of 5t0b by Molmil
Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ...
著者Wilson, I.A, Tzarum, N, Zhu, X.
登録日2016-08-15
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
5TH0
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BU of 5th0 by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Wilson, I.A.
登録日2016-09-28
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5THC
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Crystal structure of H10 hemagglutinin mutant (T193D-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Wilson, I.A.
登録日2016-09-29
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.792 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5TGO
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BU of 5tgo by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-D193T-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Wilson, I.A.
登録日2016-09-28
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5TGU
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BU of 5tgu by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-D193T-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Wilson, I.A.
登録日2016-09-28
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017
5TH1
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BU of 5th1 by Molmil
Crystal structure of H10 hemagglutinin mutant (K158aA-Q226L-G228S) from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Wilson, I.A.
登録日2016-09-28
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献The 150-Loop Restricts the Host Specificity of Human H10N8 Influenza Virus.
Cell Rep, 19, 2017

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