5YEU
| Structural and mechanistic analyses reveal a unique Cas4-like protein in the mimivirus virophage resistance element system | Descriptor: | MAGNESIUM ION, Uncharacterized protein R354 | Authors: | Dou, C, Yu, M.J, Gu, Y.J, Cheng, W. | Deposit date: | 2017-09-19 | Release date: | 2018-07-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System. Iscience, 3, 2018
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5YET
| Structure of R354_WT | Descriptor: | Uncharacterized protein R354 | Authors: | Dou, C, Yu, M.J, Gu, Y.J, Cheng, W. | Deposit date: | 2017-09-19 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structural and Mechanistic Analyses Reveal a Unique Cas4-like Protein in the Mimivirus Virophage Resistance Element System. Iscience, 3, 2018
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1YKR
| Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | Descriptor: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B. | Deposit date: | 2005-01-18 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases Bioorg.Med.Chem.Lett., 15, 2005
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7E23
| SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ... | Authors: | Liu, C, Song, D, Dou, C. | Deposit date: | 2021-02-04 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2. Commun Biol, 4, 2021
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3SP4
| Crystal structure of aprataxin ortholog Hnt3 from Schizosaccharomyces pombe | Descriptor: | Aprataxin-like protein, SULFATE ION, ZINC ION | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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3SPD
| Crystal structure of aprataxin ortholog Hnt3 in complex with DNA | Descriptor: | Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*AP*C)-3'), ... | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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3SPL
| Crystal structure of aprataxin ortholog Hnt3 in complex with DNA and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), ... | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-02 | Release date: | 2011-10-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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5ZVV
| Structure of SeMet-phAimR | Descriptor: | AimR transcriptional regulator, GLYCEROL | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-13 | Release date: | 2018-09-05 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZW6
| Structure of spAimR | Descriptor: | AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-14 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZW5
| Structure of SeMet-spAimR | Descriptor: | AimR transcriptional regulator | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-14 | Release date: | 2018-08-29 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZVW
| Structure of phAimR-Ligand | Descriptor: | AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5XUO
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7AEH
| SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | Deposit date: | 2020-09-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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8CJ3
| Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone | Descriptor: | Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1 | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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8CJ1
| Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone | Descriptor: | Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1 | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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8CJ2
| Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | Descriptor: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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1HBJ
| X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline | Descriptor: | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L. | Deposit date: | 2001-04-16 | Release date: | 2001-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors J.Med.Chem., 44, 2001
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9CRW
| Crystal structure of the Candida albicans kinesin-8 proximal tail domain | Descriptor: | Kinesin-like protein | Authors: | Trofimova, D, Doubleday, C, Hunter, B, Serrano Arevalo, J, Davison, E, Wen, E, Munro, K, Allingham, J.S. | Deposit date: | 2024-07-22 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of the Candida albicans kinesin-8 proximal tail domain To Be Published
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7AEG
| SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | Deposit date: | 2020-09-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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7QPB
| Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | Deposit date: | 2022-01-03 | Release date: | 2023-09-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle. Angew.Chem.Int.Ed.Engl., 62, 2023
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7ED5
| A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B. | Deposit date: | 2021-03-15 | Release date: | 2022-02-16 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase. Nat Commun, 13, 2022
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5KW2
| The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation | Descriptor: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1 | Authors: | Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C. | Deposit date: | 2016-07-15 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural basis for GPR40 allosteric agonism and incretin stimulation. Nat Commun, 9, 2018
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1F2N
| RICE YELLOW MOTTLE VIRUS | Descriptor: | CALCIUM ION, CAPSID PROTEIN | Authors: | Qu, C, Liljas, L, Opalka, N, Brugidou, C, Yeager, M, Beachy, R.N, Fauquet, C.M, Johnson, J.E, Lin, T. | Deposit date: | 2000-05-26 | Release date: | 2000-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 3D domain swapping modulates the stability of members of an icosahedral virus group. Structure Fold.Des., 8, 2000
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6ZUF
| Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | Descriptor: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | Authors: | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | Deposit date: | 2020-07-22 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity. Sci Adv, 7, 2021
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5CZB
| HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5 | Descriptor: | 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pierra, C, Dousson, C, Augustin, M. | Deposit date: | 2015-07-31 | Release date: | 2016-06-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase. Bioorg.Med.Chem.Lett., 26, 2016
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