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6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
Descriptor: 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
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-20
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 6u36 by Molmil
PCSK9 in complex with a Fab and compound 14
Descriptor: 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, ...
Authors:Lu, J, Soisson, S.
Deposit date:2019-08-21
Release date:2019-11-06
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: (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, ...
Authors:Xiong, P, Caizhe, X.
Deposit date:2020-02-13
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex.
Nat Commun, 11, 2020
1GJJ
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BU of 1gjj by Molmil
N-TERMINAL CONSTANT REGION OF THE NUCLEAR ENVELOPE PROTEIN LAP2
Descriptor: LAP2
Authors:Clore, G.M, Cai, M.
Deposit date:2001-06-25
Release date:2003-06-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite: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
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite: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
Descriptor: 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 3ske by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 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
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 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
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: Antibody heavy chain, Antibody light chain
Authors:He, M.Z, Gu, Y, Li, S.W.
Deposit date:2019-11-07
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.766 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Shapiro, L.
Deposit date:2022-01-11
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite: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
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7TTM
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BU of 7ttm by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat SHC014 receptor-binding domain
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-02
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite: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
Descriptor: 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
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CALCIUM ION, NICKEL (II) ION, Spondin-2
Authors:Li, Y, Mariuzza, R.A.
Deposit date:2008-05-09
Release date:2009-02-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DHX15, CHLORIDE ION, ...
Authors:Huang, J, Tong, L.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: NONSTRUCTURAL PROTEIN 1
Authors:Montelione, G.T, Chien, C.-Y, Tejero, R.
Deposit date:1997-10-02
Release date:1998-01-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GFP-like non-fluorescent chromoprotein
Authors:Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
Deposit date:2020-02-12
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, Fab 4B3 (heavy chain), Fab 4B3 (light chain), ...
Authors:Veggi, D, Cozzi, R.
Deposit date:2020-02-05
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: CALCIUM ION, rsCGaMP
Authors:Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
Deposit date:2020-03-11
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 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, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2021-05-20
Release date:2021-06-16
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Nanobodies from camelid mice and llamas neutralize SARS-CoV-2 variants.
Nature, 595, 2021
7MY3
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BU of 7my3 by Molmil
CryoEM structure of neutralizing nanobody Nb12 in complex with SARS-CoV2 spike
Descriptor: 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, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2021-05-20
Release date:2021-06-16
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION
Authors:Ke, H, Wang, y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ...
Authors:Ke, h, Wang, Y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018

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