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6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
分子名称: 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U36
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PCSK9 in complex with a Fab and compound 14
分子名称: 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6LY5
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BU of 6ly5 by Molmil
Organization and energy transfer in a huge diatom PSI-FCPI supercomplex
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Xiong, P, Caizhe, X.
登録日2020-02-13
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (2.38 Å)
主引用文献Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex.
Nat Commun, 11, 2020
1GJJ
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N-TERMINAL CONSTANT REGION OF THE NUCLEAR ENVELOPE PROTEIN LAP2
分子名称: LAP2
著者Clore, G.M, Cai, M.
登録日2001-06-25
公開日2003-06-24
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the constant region of nuclear envelope protein LAP2 reveals two LEM-domain structures: one binds BAF and the other binds DNA.
Embo J., 20, 2001
8GWF
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BU of 8gwf by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
3SKH
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BU of 3skh by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
分子名称: 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE
著者Lesburg, C.A, Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKE
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I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
分子名称: 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION
著者Lesburg, C.A, Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKA
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BU of 3ska by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
分子名称: 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION
著者Lesburg, C.A, Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
6L8T
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BU of 6l8t by Molmil
Crystal structure of the Fab fragment of a humanized HBV therapeutic antibody
分子名称: Antibody heavy chain, Antibody light chain
著者He, M.Z, Gu, Y, Li, S.W.
登録日2019-11-07
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Structure guided maturation of a novel humanized anti-HBV antibody and its preclinical development.
Antiviral Res., 180, 2020
7THK
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BU of 7thk by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike omicron B.1.1.529 variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cerutti, G, Shapiro, L.
登録日2022-01-11
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Cryo-EM structure of the SARS-CoV-2 Omicron spike.
Cell Rep, 38, 2022
7TTX
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BU of 7ttx by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat RaTG13 receptor-binding domain
分子名称: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-02-02
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7TTM
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Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat SHC014 receptor-binding domain
分子名称: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-02-01
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7TTY
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BU of 7tty by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with bat WIV1 receptor-binding domain
分子名称: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-02-02
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3D34
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BU of 3d34 by Molmil
Structure of the F-spondin domain of mindin
分子名称: CALCIUM ION, NICKEL (II) ION, Spondin-2
著者Li, Y, Mariuzza, R.A.
登録日2008-05-09
公開日2009-02-17
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule.
Embo J., 28, 2009
8EJM
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BU of 8ejm by Molmil
Crystal structure of human DEAH-box helicase DHX15 in complex with SUGP1 G-patch
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DHX15, CHLORIDE ION, ...
著者Huang, J, Tong, L.
登録日2022-09-17
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
1NS1
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BU of 1ns1 by Molmil
RNA-BINDING DOMAIN OF NON-STRUCTURAL PROTEIN 1 FROM INFLUENZA VIRUS, NMR, 16 STRUCTURES
分子名称: NONSTRUCTURAL PROTEIN 1
著者Montelione, G.T, Chien, C.-Y, Tejero, R.
登録日1997-10-02
公開日1998-01-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel RNA-binding motif in influenza A virus non-structural protein 1.
Nat.Struct.Biol., 4, 1997
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
6Y1G
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BU of 6y1g by Molmil
Photoconverted HcRed in its optoacoustic state
分子名称: 1,2-ETHANEDIOL, GFP-like non-fluorescent chromoprotein
著者Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
登録日2020-02-12
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Challenging a Preconception: Optoacoustic Spectrum Differs from the Optical Absorption Spectrum of Proteins and Dyes for Molecular Imaging.
Anal.Chem., 92, 2020
6XZW
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BU of 6xzw by Molmil
Crystal structure of the meningococcal vaccine antigen fHbp in complex with a cross-reactive human Fab.
分子名称: 1,2-ETHANEDIOL, Fab 4B3 (heavy chain), Fab 4B3 (light chain), ...
著者Veggi, D, Cozzi, R.
登録日2020-02-05
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4CMenB vaccine induces elite cross-protective human antibodies that compete with human factor H for binding to meningococcal fHbp.
Plos Pathog., 16, 2020
6YA9
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BU of 6ya9 by Molmil
Crystal structure of rsGCaMP in the ON state (non-illuminated)
分子名称: CALCIUM ION, rsCGaMP
著者Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
登録日2020-03-11
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 2021
7MY2
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BU of 7my2 by Molmil
CryoEM structure of neutralizing nanobody Nb30 in complex with SARS-CoV2 spike
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, Nanobody Nb30, ...
著者Xu, K, Kwong, P.D.
登録日2021-05-20
公開日2021-06-16
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Nanobodies from camelid mice and llamas neutralize SARS-CoV-2 variants.
Nature, 595, 2021
7MY3
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CryoEM structure of neutralizing nanobody Nb12 in complex with SARS-CoV2 spike
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, Nanobody Nb12, ...
著者Xu, K, Kwong, P.D.
登録日2021-05-20
公開日2021-06-16
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Nanobodies from camelid mice and llamas neutralize SARS-CoV-2 variants.
Nature, 595, 2021
6CPU
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BU of 6cpu by Molmil
Crystal structure of yeast caPDE2
分子名称: MAGNESIUM ION, Phosphodiesterase, ZINC ION
著者Ke, H, Wang, y.
登録日2018-03-14
公開日2019-02-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
6CPT
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BU of 6cpt by Molmil
crystal structure of yeast caPDE2 in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ...
著者Ke, h, Wang, Y.
登録日2018-03-14
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018

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