8DL9
 
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8DLB
 | | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | | Descriptor: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | | Authors: | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | | Deposit date: | 2022-07-07 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
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8DMD
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4OW3
 | | Thermolysin structure determined by free-electron laser | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Hattne, J, Echols, N, Tran, R, Kern, J, Gildea, R.J, Brewster, A.S, Alonso-Mori, R, Glockner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, White, W.E, Schafer, D.W, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Glatzel, P, Zwart, P.H, Grosse-Kunstleve, R.W, Bogan, M.J, Messerschmidt, M, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Yano, J, Bergmann, U, Yachandra, V.K, Adams, P.D, Sauter, N.K. | | Deposit date: | 2014-01-30 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers.
Nat.Methods, 11, 2014
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8S9V
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3LX4
 | | Stepwise [FeFe]-hydrogenase H-cluster assembly revealed in the structure of HydA(deltaEFG) | | Descriptor: | ACETATE ION, CHLORIDE ION, Fe-hydrogenase, ... | | Authors: | Mulder, D.W, Boyd, E.S, Sarma, R, Lange, R.K, Endrizzi, J.A, Broderick, J.B, Peters, J.W. | | Deposit date: | 2010-02-24 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Stepwise [FeFe]-hydrogenase H-cluster assembly revealed in the structure of HydA(DeltaEFG).
Nature, 465, 2010
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8S9X
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5D1B
 | | Crystal structure of G117E HDAC8 in complex with TSA | | Descriptor: | Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... | | Authors: | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | Deposit date: | 2015-08-04 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
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3LXR
 | | Shigella IpgB2 in complex with human RhoA and GDP (complex C) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IpgB2, SULFATE ION, ... | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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5D1D
 | | Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | Deposit date: | 2015-08-04 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
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3LYQ
 | | Crystal structure of IpgB2 from Shigella flexneri | | Descriptor: | CITRATE ANION, IpgB2, MU-OXO-DIIRON | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-28 | | Release date: | 2010-03-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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3LWN
 | | Shigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex B) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IpgB2, MAGNESIUM ION, ... | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-24 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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3LXX
 | | Crystal structure of human GTPase IMAP family member 4 | | Descriptor: | GTPase IMAP family member 4, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Shen, Y, Nedyalkova, L, Tong, Y, Tempel, W, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-09 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of human GTPase IMAP family member 4
to be published
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8S9T
 | | CRISPR-Cas type III-D effector complex | | Descriptor: | CRISPR RNA, Cas10, Cas7-2x, ... | | Authors: | Schwartz, E.A, Taylor, D.W. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
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8S9U
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8SQH
 | | SpRY-Cas9:gRNA complex targeting TTC PAM DNA | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | Authors: | Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. | | Deposit date: | 2023-05-04 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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8SRS
 | | SpRY-Cas9:gRNA complex targeting TAC PAM DNA | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | Authors: | Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. | | Deposit date: | 2023-05-06 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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8SPQ
 | | SpRY-Cas9:gRNA complex targeting TGG PAM DNA | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | Authors: | Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. | | Deposit date: | 2023-05-03 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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5CXX
 | | Structure of a CE1 ferulic acid esterase, AmCE1/Fae1A, from Anaeromyces mucronatus in complex with Ferulic acid | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Gruninger, R.J, Abbott, D.W. | | Deposit date: | 2015-07-29 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Contributions of a unique beta-clamp to substrate recognition illuminates the molecular basis of exolysis in ferulic acid esterases.
Biochem.J., 473, 2016
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5DC6
 | | Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | | Deposit date: | 2015-08-23 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
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8SFN
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8SFI
 | | WT CRISPR-Cas12a with a 8bp R-loop | | Descriptor: | CRISPR-associated endonuclease Cas12a, DNA (5'-D(P*CP*TP*TP*AP*TP*CP*AP*CP*TP*AP*AP*AP*AP*GP*AP*TP*CP*GP*GP*AP*AP*G)-3'), DNA (5'-D(P*CP*TP*TP*CP*CP*GP*AP*TP*CP*TP*TP*TP*TP*AP*GP*TP*GP*AP*TP*A)-3'), ... | | Authors: | Strohkendl, I, Taylor, D.W. | | Deposit date: | 2023-04-11 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | WT CRISPR-Cas12a with a 8bp R-loop
To Be Published
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8SFQ
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8SFO
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8DPU
 | | The crystal structure of the IL-11 signalling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | | Authors: | Metcalfe, R.D, Aizel, K, Griffin, M.D.W. | | Deposit date: | 2022-07-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.78 Å) | | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant.
Nat Commun, 14, 2023
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