6XWO
 
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6WBW
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-27 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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6XA9
 | | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | | Deposit date: | 2020-06-04 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
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6VLM
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6XVK
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XAA
 | | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | | Deposit date: | 2020-06-04 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
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6ZGI
 | | Furin Cleaved Spike Protein of SARS-CoV-2 in Closed Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-06-18 | | Release date: | 2020-07-01 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | SARS-CoV-2 and bat RaTG13 spike glycoprotein structures inform on virus evolution and furin-cleavage effects.
Nat.Struct.Mol.Biol., 27, 2020
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2NAW
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7JLS
 | | RV3666c bound to tripeptide | | Descriptor: | Peptide SER-VAL-ALA, Probable periplasmic dipeptide-binding lipoprotein DppA | | Authors: | Lee, R.E, Griffith, E.C, Miller, D.J. | | Deposit date: | 2020-07-30 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket.
Tuberculosis (Edinb), 132, 2021
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6VXY
 | | Triazole bridged SFTI1 inhibitor in complex with beta-trypsin | | Descriptor: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | | Authors: | White, A.M, King, G.J, Durek, T, Craik, D.J. | | Deposit date: | 2020-02-25 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 2020
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8FDO
 | | SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058 | | Descriptor: | DH1058 Heavy chain, DH1058 Light chain, FP15 | | Authors: | Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L. | | Deposit date: | 2022-12-04 | | Release date: | 2023-10-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
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6ZL4
 | | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis) | | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2020-06-30 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
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6XWP
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6WWZ
 | | Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein | | Descriptor: | C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H. | | Deposit date: | 2020-05-09 | | Release date: | 2020-06-24 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
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6WXY
 | | crystal structure of cA6-bound Card1 | | Descriptor: | Card1, cA6 | | Authors: | Rostol, J, Xie, W, Patel, D.J, Marraffini, L. | | Deposit date: | 2020-05-12 | | Release date: | 2020-12-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021
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7LTO
 | | Nse5-6 complex | | Descriptor: | Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera | | Authors: | Yu, Y, Li, S.B, Zheng, S, Tangy, S, Koyi, C, Wan, B.B, Kung, H.H, Andrej, S, Alex, K, Patel, D.J, Zhao, X.L. | | Deposit date: | 2021-02-19 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Integrative analysis reveals unique structural and functional features of the Smc5/6 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6WBZ
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group | | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-28 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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6ZGF
 | | Spike Protein of RaTG13 Bat Coronavirus in Closed Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-06-18 | | Release date: | 2020-07-01 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | SARS-CoV-2 and bat RaTG13 spike glycoprotein structures inform on virus evolution and furin-cleavage effects.
Nat.Struct.Mol.Biol., 27, 2020
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7L9P
 | | Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ... | | Authors: | Xie, W, Patel, D.J. | | Deposit date: | 2021-01-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1H2F
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6ZGB
 | | glutamate transporter homologue Glttk in complex with a photo cage compound | | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid, DI(HYDROXYETHYL)ETHER, Proton/glutamate symporter, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
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6WJH
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8FKF
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8FKD
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8FKG
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