5NME
 
 | | 868 TCR in complex with HLA A02 presenting SLYNTVATL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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4G34
 | | Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution | | Descriptor: | 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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6TBM
 | | Structure of SAGA bound to TBP, including Spt8 and DUB | | Descriptor: | Polyubiquitin-B, SAGA-associated factor 11, Spt20, ... | | Authors: | Papai, G, Frechard, A, Kolesnikova, O, Crucifix, C, Schultz, P, Ben-Shem, A. | | Deposit date: | 2019-11-01 | | Release date: | 2020-02-12 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Structure of SAGA and mechanism of TBP deposition on gene promoters.
Nature, 577, 2020
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6IVV
 | | Structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii with multiple surface binding regions at 1.26A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | | Deposit date: | 2018-12-04 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure of peptide t-RNA hydrolase from Acinetobacter baumannii with multiple surface binding sites at 1.26 Angstrom resolution.
To Be Published
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6SNP
 | | Crystal structures of human PGM1 isoform 2 | | Descriptor: | MAGNESIUM ION, Phosphoglucomutase-1 | | Authors: | Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M. | | Deposit date: | 2019-08-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily.
Sci Rep, 10, 2020
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3C13
 | | Low pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 | | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | | Deposit date: | 2008-01-22 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Catalytic Subunit of Human Protein Kinase CK2 Structurally Deviates from Its Maize Homologue in Complex with the Nucleotide Competitive Inhibitor Emodin
J.Mol.Biol., 377, 2008
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5NMH
 | | HLA A02 presenting SLYNTIATL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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7R4X
 | | Cryo-EM reconstruction of the human 40S ribosomal subunit - Full map | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Pellegrino, S, Dent, K.C, Spikes, T, Warren, A.J. | | Deposit date: | 2022-02-09 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Cryo-EM reconstruction of the human 40S ribosomal subunit at 2.15 angstrom resolution.
Nucleic Acids Res., 51, 2023
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4E11
 | | Crystal structure of kynurenine formamidase from Drosophila melanogaster | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, SODIUM ION, ... | | Authors: | Han, Q, Robinson, H, Li, J. | | Deposit date: | 2012-03-05 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical identification and crystal structure of kynurenine formamidase from Drosophila melanogaster.
Biochem.J., 446, 2012
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6QLP
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 3 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ... | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.081 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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6IKA
 | | HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | Deposit date: | 2018-10-15 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors.
Biochem. Biophys. Res. Commun., 509, 2019
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5T13
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6QLU
 | | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-8 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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3BJ8
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4G31
 | | Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution | | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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5LOO
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2F19
 | | THREE-DIMENSIONAL STRUCTURE OF TWO CRYSTAL FORMS OF FAB R19.9, FROM A MONOCLONAL ANTI-ARSONATE ANTIBODY | | Descriptor: | IGG2B-KAPPA R19.9 FAB (HEAVY CHAIN), IGG2B-KAPPA R19.9 FAB (LIGHT CHAIN) | | Authors: | Lascombe, M.B, Alzari, P.M, Poljak, R.J, Nisonoff, A. | | Deposit date: | 1992-05-27 | | Release date: | 1992-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Three-dimensional structure of two crystal forms of FabR19.9 from a monoclonal anti-arsonate antibody.
Proc.Natl.Acad.Sci.USA, 89, 1992
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6J05
 | | Structures of two ArsR As(III)-responsive repressors: implications for the mechanism of derepression | | Descriptor: | ARSENIC, SODIUM ION, Transcriptional regulator ArsR | | Authors: | Prabaharan, C, Kandavelu, P, Packianathan, C, Rosen, P.B, Thiyagarajan, S. | | Deposit date: | 2018-12-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structures of two ArsR As(III)-responsive transcriptional repressors: Implications for the mechanism of derepression.
J.Struct.Biol., 207, 2019
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1VJI
 | | Gene Product of At1g76680 from Arabidopsis thaliana | | Descriptor: | 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE | | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2004-02-24 | | Release date: | 2004-03-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1.
Proteins, 61, 2005
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6IX6
 | | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution | | Descriptor: | N-PROPANOL, Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | | Deposit date: | 2018-12-09 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
To Be Published
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5V7T
 | | crystal structure of PARP14 bound to N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine inhibitor | | Descriptor: | N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Poly [ADP-ribose] polymerase 14 | | Authors: | saikatendu, k.s, Hirozane, M. | | Deposit date: | 2017-03-20 | | Release date: | 2017-05-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Biochem. Biophys. Res. Commun., 486, 2017
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6VIF
 | | Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | | Descriptor: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Cato, M.L, Ortlund, E.A. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
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5UJ5
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6SU6
 | | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | | Deposit date: | 2019-09-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
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5M3K
 | | A multi-component acyltransferase PhlABC from Pseudomonas protegens | | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein PhlB, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, PhlA, ... | | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | | Deposit date: | 2016-10-15 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Chembiochem, 20, 2019
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