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4GEZ
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BU of 4gez by Molmil
Structure of a neuraminidase-like protein from A/bat/Guatemala/164/2009
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yang, H, Carney, P.J, Donis, R.O, Stevens, J.
登録日2012-08-02
公開日2012-09-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
5I7V
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BU of 5i7v by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT02
分子名称: 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-18
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I9L
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BU of 5i9l by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT404
分子名称: 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-20
公開日2017-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I8Z
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BU of 5i8z by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT12
分子名称: 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-19
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5IFL
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BU of 5ifl by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and triclosan
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-26
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I7S
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BU of 5i7s by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT01
分子名称: 5-ETHYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-18
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I8W
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BU of 5i8w by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT401
分子名称: 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-19
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I7F
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BU of 5i7f by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT405
分子名称: 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-17
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
6GK7
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BU of 6gk7 by Molmil
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
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
6X3N
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BU of 6x3n by Molmil
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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BU of 6x3o by Molmil
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
5CP7
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BU of 5cp7 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides
分子名称: Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
5CJQ
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BU of 5cjq by Molmil
Crystal structure of a trimeric influenza hemagglutinin stem in complex with an broadly neutralizing antibody CR9114
分子名称: CR9114 heavy chain, CR9114 light chain, Designed influenza hemagglutinin stem #4900, ...
著者Zhu, X, Wilson, I.A.
登録日2015-07-14
公開日2015-09-09
最終更新日2015-09-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A stable trimeric influenza hemagglutinin stem as a broadly protective immunogen.
Science, 349, 2015
5CJS
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BU of 5cjs by Molmil
Crystal structure of a monomeric influenza hemagglutinin stem in complex with an broadly neutralizing antibody CR9114
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR9114 heavy chain, CR9114 light chain, ...
著者Zhu, X, Wilson, I.A.
登録日2015-07-15
公開日2015-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献A stable trimeric influenza hemagglutinin stem as a broadly protective immunogen.
Science, 349, 2015
6XC4
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BU of 6xc4 by Molmil
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
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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BU of 6xc2 by Molmil
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
6DCW
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BU of 6dcw by Molmil
Crystal structure of human anti-tau antibody CBTAU-27.1 Fab in complex with a human tau peptide
分子名称: Heavy chain of CBTAU27.1 Fab, Light chain of CBTAU27.1 Fab, tau peptide
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2018-05-08
公開日2018-06-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 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
6DCV
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BU of 6dcv by Molmil
Crystal structure of human anti-tau antibody CBTAU-27.1
分子名称: GLYCEROL, Light chain of CBTAU27.1 Fab, heavy chain of CBTAU-27.1 Fab
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2018-05-08
公開日2018-06-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 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
8IW0
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BU of 8iw0 by Molmil
Crystal structure of the KANK1/liprin-beta1 complex
分子名称: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
著者Zhang, J, Chen, S, Wei, Z, Yu, C.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023

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