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5ZV3
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BU of 5zv3 by Molmil
Crystal structure of human anti-tau antibody CBTAU-28.1 in complex with its tau peptide
分子名称: Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1, Peptide from Microtubule-associated protein tau
著者Zhang, H, Wilson, I.A.
登録日2018-05-09
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.093 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
8SD2
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BU of 8sd2 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
分子名称: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 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Kadam, R.U, Zhu, X.Y, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD4
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BU of 8sd4 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
分子名称: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Kadam, R.U, Zhu, X, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
3LGP
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BU of 3lgp by Molmil
Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
分子名称: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
著者Orth, P.
登録日2010-01-21
公開日2010-07-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4ZCJ
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BU of 4zcj by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin HA1 Cys30, HA2 Cys47 mutant
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Lee, P.S, Wilson, I.A.
登録日2015-04-16
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Structure of an Engineered Disulfide-Stabilized Influenza Virus Hemagglutinin Trimer.
J.Virol., 89, 2015
6PZD
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BU of 6pzd by Molmil
Crystal structure of the neuraminidase stabilization mutant Y169aH from A/Shanghai/2/2013 (H7N9)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2019-07-31
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
6PZW
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BU of 6pzw by Molmil
CryoEM derived model of NA-22 Fab in complex with N9 Shanghai2
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, NA-22 fragment antigen binding heavy chain, ...
著者Ward, A.B, Turner, H.L, Zhu, X.
登録日2019-08-01
公開日2019-12-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
6Q1Z
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BU of 6q1z by Molmil
Crystal structure of human 1G04 Fab in complex with influenza virus neuraminidase from A/Hunan/02650/2016 (H7N9)
分子名称: 1G04 Fab IgG1 heavy chain, 1G04 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2019-08-06
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.446 Å)
主引用文献Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
6PZE
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BU of 6pze by Molmil
Crystal structure of human NA-45 Fab in complex with neuraminidase Y169aH mutant from A/Shanghai/2/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NA-45 FAB HEAVY CHAIN, ...
著者Zhu, X, Wilson, I.A.
登録日2019-07-31
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
6PZF
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BU of 6pzf by Molmil
Crystal structure of human NA-63 Fab in complex with neuraminidase from A/Hunan/02650/2016(H7N9)
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, CALCIUM ION, ...
著者Zhu, X, Wilson, I.A.
登録日2019-07-31
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
8H03
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BU of 8h03 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a preclinical Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H04
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BU of 8h04 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H05
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BU of 8h05 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
6PZZ
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BU of 6pzz by Molmil
CryoEM derived model of NA-80 Fab in complex with N9 Shanghai2
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, NA-80 fragment antibody heavy chain, ...
著者Ward, A.B, Turner, H.L, Zhu, X.
登録日2019-08-01
公開日2019-12-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
6PZG
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BU of 6pzg by Molmil
Crystal structure of human NA-80 Fab
分子名称: NA-80 Fab heavy chain, NA-80 Fab light chain
著者Zhu, X, Wilson, I.A.
登録日2019-07-31
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
6Q23
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BU of 6q23 by Molmil
Crystal structure of human 1G01 Fab in complex with influenza virus neuraminidase from A/California/04/2009 (H1N1)
分子名称: 1G01 Fab IgG1 heavy chain, 1G01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2019-08-06
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
6PZH
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BU of 6pzh by Molmil
Crystal structure of human NA-22 Fab
分子名称: NA-22 Fab heavy chain, NA-22 Fab light chain
著者Zhu, X, Wilson, I.A.
登録日2019-07-31
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
6Q20
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BU of 6q20 by Molmil
Crystal structure of human 1E01 Fab in complex with influenza virus neuraminidase from A/Japan/305/1957 (H2N2)
分子名称: 1E01 Fab IgG1 heavy chain, 1E01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2019-08-06
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
4NM4
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BU of 4nm4 by Molmil
Crystal structure of broadly neutralizing antibody CR8043
分子名称: Antibody CR8043, Heavy Chain, Light Chain, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-11-14
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
6PU7
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BU of 6pu7 by Molmil
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
分子名称: Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
著者Lesburg, C.A.
登録日2019-07-17
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
6PZY
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BU of 6pzy by Molmil
CryoEM derived model of NA-73 Fab in complex with N9 Shanghai2
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, NA-73 fragment antibody heavy chain, ...
著者Ward, A.B, Turner, H.L, Zhu, X.
登録日2019-08-01
公開日2019-12-04
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
7KBG
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BU of 7kbg by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)
分子名称: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
4NM8
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BU of 4nm8 by Molmil
Crystal structure of broadly neutralizing antibody CR8043 bound to H3 influenza hemagglutinin
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, Antibody CR8043, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-11-14
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.0041 Å)
主引用文献A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
6UWI
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BU of 6uwi by Molmil
Crystal structure of the Clostridium difficile translocase CDTb
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Pozharski, E.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020

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