7S4U
 
 | | Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target strand, Target strand, ... | | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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9BAF
 | | Solution NMR structure of conofurin-Delta | | Descriptor: | Alpha-conotoxin LvIA | | Authors: | Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M. | | Deposit date: | 2024-04-04 | | Release date: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors.
J.Med.Chem., 67, 2024
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6UI3
 | | GH5-4 broad specificity endoglucanase from Clostridum cellulovorans | | Descriptor: | 1,2-ETHANEDIOL, Cellulase | | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2019-09-30 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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8B4J
 | | Rfa1-N-terminal domain in complex with phosphorylated Ddc2 | | Descriptor: | 1,2-ETHANEDIOL, DNA damage checkpoint protein LCD1, Replication factor A protein 1, ... | | Authors: | Yates, L.A, Zhang, X. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6RFJ
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2019-04-15 | | Release date: | 2019-10-30 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
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6RJV
 | | The X-ray structure of the Gold/Serum Albumin adduct obtained upon reaction of the protein with AuL12, a gold(III) dithiocarbamate complex | | Descriptor: | GOLD ION, MAGNESIUM ION, Serum albumin | | Authors: | Merlino, A, Giorgio, A, Ferraro, G. | | Deposit date: | 2019-04-29 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structural Characterization of a Gold/Serum Albumin Complex.
Inorg.Chem., 58, 2019
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9GDK
 | | Jumonji domain-containing protein 1C with crystallization epitope mutations L2440Y:G2444H | | Descriptor: | Probable JmjC domain-containing histone demethylation protein 2C | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-08-05 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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8OTT
 | | MYC-MAX bound to a nucleosome at SHL+5.8 | | Descriptor: | DNA (144-MER), Histone H2A type 1-B/E, Histone H2A type 1-K, ... | | Authors: | Stoos, L, Michael, A.K, Kempf, G, Kater, L, Cavadini, S, Thoma, N. | | Deposit date: | 2023-04-21 | | Release date: | 2023-05-24 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
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6RKO
 | | Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | | Authors: | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | | Deposit date: | 2019-04-30 | | Release date: | 2019-10-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases.
Science, 366, 2019
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9C0Y
 | | Clathrin terminal domain complexed with Pitstop 2c | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
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9B0B
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6RKZ
 | | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | | Deposit date: | 2019-04-30 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4WFO
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6ONP
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6RLN
 | | Crystal structure of RIP1 kinase in complex with GSK3145095 | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide | | Authors: | Thorpe, J.H, Harris, P.A. | | Deposit date: | 2019-05-02 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.
Acs Med.Chem.Lett., 10, 2019
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6ONQ
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7A9B
 | | Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide | | Descriptor: | 1,2-ETHANEDIOL, SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3 | | Authors: | Mariam McAuley, M, Ali, M, Ivarsson, Y, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-01 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
to be published
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7A78
 | | Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-08-27 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
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5KKM
 | | Con-Vc11-22 | | Descriptor: | O2_contryphan_Vc1 prepropeptide | | Authors: | Chittoor, B, Krishnarjuna, B, MacRaild, C.A, Robinson, S.D. | | Deposit date: | 2016-06-22 | | Release date: | 2017-05-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Single Disulfide-Directed beta-Hairpin Fold. Dynamics, Stability, and Engineering.
Biochemistry, 56, 2017
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9BJU
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-04-25 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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4WWW
 | | Crystal structure of the E. coli ribosome bound to CEM-101 | | Descriptor: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S rRNA, 23S rRNA, ... | | Authors: | Dunkle, J.A, Zhang, W, Cate, J.H.D, Mankin, A.S. | | Deposit date: | 2014-11-12 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Binding and action of CEM-101, a new fluoroketolide antibiotic that inhibits protein synthesis.
Antimicrob. Agents Chemother., 54, 2010
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6O5R
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6OPM
 | | Casposase bound to integration product | | Descriptor: | CALCIUM ION, CRISPR-associated endonuclease Cas1, DNA 21-mer, ... | | Authors: | Dyda, F, Hickman, A.B, Kailasan, S. | | Deposit date: | 2019-04-25 | | Release date: | 2020-02-12 | | Last modified: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Casposase structure and the mechanistic link between DNA transposition and spacer acquisition by CRISPR-Cas.
Elife, 9, 2020
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4WKY
 | | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 | | Descriptor: | 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ... | | Authors: | Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-10-03 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8SF4
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