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4WA1
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BU of 4wa1 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals
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Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WA3
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BU of 4wa3 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NICKEL (II) ION, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WA4
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BU of 4wa4 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WA5
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BU of 4wa5 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with zanamivir
分子名称: CALCIUM ION, Neuraminidase, ZANAMIVIR, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
5HI5
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BU of 5hi5 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
分子名称: (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ...
著者Liu, S.
登録日2016-01-11
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
4U1T
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BU of 4u1t by Molmil
The crystal structure of holo CalE6, a methionine gamma lyase from Micromonospora echinospora
分子名称: CalE6, SULFATE ION
著者Song, H.G, Guo, Z.H.
登録日2014-07-16
公開日2015-01-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Characterization of a Methionine gamma-Lyase in the Calicheamicin Biosynthetic Cluster of Micromonospora echinospora
Chembiochem, 16, 2015
8HIJ
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BU of 8hij by Molmil
The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
5L18
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BU of 5l18 by Molmil
The crystal structure of neuraminidase in complex with sialic acid from A/Shanghai/2/2013 (H7N9) influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
著者Yang, H, Stevens, J.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L17
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BU of 5l17 by Molmil
The crystal structure of neuraminidase in complex with zanamivir from A/Shanghai/2/2013 (H7N9) influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Yang, H, Stevens, J.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L15
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BU of 5l15 by Molmil
The crystal structure of neuraminidase in complex with oseltamivir from A/Shanghai/2/2013 (H7N9) influenza virus
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yang, H, Stevens, J.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L14
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BU of 5l14 by Molmil
The crystal structure of neuraminidase from A/Shanghai/2/2013 (H7N9) influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Yang, H, Stevens, J.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
7QSX
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BU of 7qsx by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QVI
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BU of 7qvi by Molmil
Fiber-forming RubisCO derived from ancestral sequence reconstruction and rational engineering
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
著者Schulz, L, Zarzycki, J, Prinz, S, Schuller, J.M, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-21
公開日2022-10-12
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QT1
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BU of 7qt1 by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex with substitution e170N
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSW
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BU of 7qsw by Molmil
L8S8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of SSU-bearing Form I RubisCOs
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSV
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BU of 7qsv by Molmil
L8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of Form I'' and Form I RubisCOs
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSY
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BU of 7qsy by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSZ
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BU of 7qsz by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
2O8M
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BU of 2o8m by Molmil
Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease
分子名称: Protease, SODIUM ION, ZINC ION
著者Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N.
登録日2006-12-12
公開日2007-10-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
登録日2016-11-15
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
8HIK
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BU of 8hik by Molmil
The TPP-bound BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8HII
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BU of 8hii by Molmil
The BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: BRIL-SLC19A1 chimera, anti-BRIL Fab heavy chain, anti-BRIL Fab light chain, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
3E8R
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BU of 3e8r by Molmil
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
分子名称: (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ...
著者Orth, P.
登録日2008-08-20
公開日2008-10-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
7FAJ
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BU of 7faj by Molmil
CARM1 bound with compound 43
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2450726 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09749269 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021

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