6Y4G
 
 | | Crystal structure of the human METTL3-METTL14 complex bound to Sinefungin | | Descriptor: | ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | | Authors: | Bedi, R.K, Omori, E, Caflisch, A. | | Deposit date: | 2020-02-20 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6V7N
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5J75
 | | Fluorogen Activating Protein AM2.2 in complex with ML342 | | Descriptor: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | | Deposit date: | 2016-04-05 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
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6B48
 | | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF10 | | Descriptor: | Anti-CRISPR protein AcrF10, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ... | | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | | Deposit date: | 2017-09-25 | | Release date: | 2017-10-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
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6Y7X
 | | Fragment KCL_771 in complex with MAP kinase p38-alpha | | Descriptor: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6YCW
 | | Fragment KCL_K767 in complex with MAP kinase p38-alpha | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6Y9V
 | | Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-8,13) | | Descriptor: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-19 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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6B7B
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole | | Descriptor: | 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ... | | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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7NTN
 | | The structure of RRM domain of human TRMT2A at 2 A resolution | | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | | Deposit date: | 2021-03-10 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.016 Å) | | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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6B81
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6B47
 | | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF2 | | Descriptor: | Anti-CRISPR protein AcrF2, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ... | | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | | Deposit date: | 2017-09-25 | | Release date: | 2017-10-18 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
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6MTB
 | | Rabbit 80S ribosome with P- and Z-site tRNAs (unrotated state) | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Brown, A, Baird, M.R, Yip, M.C.J, Murray, J, Shao, S. | | Deposit date: | 2018-10-19 | | Release date: | 2018-11-21 | | Last modified: | 2019-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of translationally inactive mammalian ribosomes.
Elife, 7, 2018
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6VHL
 | | Paired Helical Filament from Alzheimer's Disease Human Brain Tissue | | Descriptor: | GLYCINE, Microtubule-associated protein tau | | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | | Deposit date: | 2020-01-10 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
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7OGC
 | | GTPase HRAS under 650 MPa pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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6UVT
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7OGA
 | | GTPase HRAS under 200 MPa pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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7OGD
 | | GTPase HRAS mutant D33K under ambient pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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7NTO
 | | The structure of RRM domain of human TRMT2A at 1.23 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | | Deposit date: | 2021-03-10 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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7OG9
 | | GTPase HRAS under ambient pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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7OGB
 | | GTPase HRAS under 500 MPa pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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5XYV
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7OGF
 | | GTPase HRAS mutant D33K under 900 MPa pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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6N62
 | | Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. | | Deposit date: | 2018-11-24 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.803 Å) | | Cite: | Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6N7Q
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7OGE
 | | GTPase HRAS mutant D33K under 200 MPa pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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