6U3X
 
 | | PCSK9 in complex with compound 2 | | Descriptor: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U26
 | | PCSK9 in complex with compound 16 | | Descriptor: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U2P
 | | PCSK9 in complex with compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 2-fluoro-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 (2.04 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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1XGT
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8GWE
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | | Descriptor: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GW1
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | Authors: | Yan, L, Rao, Z, Lou, Z. | | Deposit date: | 2022-09-16 | | Release date: | 2023-10-25 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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3CIB
 | | Structure of BACE Bound to SCH727596 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2008-03-11 | | Release date: | 2008-06-10 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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8GWM
 | | SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | | Descriptor: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8HIF
 | | One asymmetric unit of Singapore grouper iridovirus capsid | | Descriptor: | Major capsid protein, Penton protein (VP14), VP137, ... | | Authors: | Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F. | | Deposit date: | 2022-11-20 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
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3CID
 | | Structure of BACE Bound to SCH726222 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2008-03-11 | | Release date: | 2008-06-10 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3CIC
 | | Structure of BACE Bound to SCH709583 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2008-03-11 | | Release date: | 2008-06-10 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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1XGP
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1XGQ
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4DOY
 | | Crystal structure of Dibenzothiophene desulfurization enzyme C | | Descriptor: | Dibenzothiophene desulfurization enzyme C, GLYCEROL | | Authors: | Liu, S, Zhang, C, Zhu, D, Gu, L. | | Deposit date: | 2012-02-12 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
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1KHH
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7LQV
 | | Cryo-EM structure of NTD-directed neutralizing antibody 4-8 Fab in complex with SARS-CoV-2 S2P spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-8 Heavy Chain, 4-8 Light chain, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2021-02-15 | | Release date: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Potent SARS-CoV-2 Neutralizing Antibodies Directed Against Spike N-Terminal Domain Target a Single Supersite
Cell Host Microbe, 2021
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7LQW
 | | Cryo-EM structure of NTD-directed neutralizing antibody 2-17 Fab in complex with SARS-CoV-2 S2P spike | | Descriptor: | 2-17 Heavy Chain, 2-17 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2021-02-15 | | Release date: | 2021-03-24 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (4.47 Å) | | Cite: | Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
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7NKE
 | | Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment | | Descriptor: | 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ... | | Authors: | Carivenc, C, Bourguet, W. | | Deposit date: | 2021-02-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors.
Endocrinology, 164, 2023
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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6ZC1
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6ZC2
 | | Crystal structure of RahU protein in complex with TRIS molecule | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RahU protein | | Authors: | Podobnik, M, Anderluh, G, Lenarcic, T. | | Deposit date: | 2020-06-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structure of RahU, an aegerolysin protein from the human pathogen Pseudomonas aeruginosa, and its interaction with membrane ceramide phosphorylethanolamine.
Sci Rep, 11, 2021
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6ZSM
 | | Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the ON state (non-illuminated) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | Deposit date: | 2020-07-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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6ZSN
 | | Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the OFF state (illuminated) | | Descriptor: | CALCIUM ION, FORMIC ACID, Green fluorescent protein,Green fluorescent protein,Calmodulin, ... | | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | Deposit date: | 2020-07-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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7AUG
 | | Crystal structure of rsGCamP1.3 in the ON state | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | Deposit date: | 2020-11-03 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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