6YGR
| tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-27 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystallization and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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6YH2
| tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-28 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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6YGM
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6YGY
| tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-28 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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1BG4
| XYLANASE FROM PENICILLIUM SIMPLICISSIMUM | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA-XYLANASE, GLYCEROL, ... | Authors: | Schmidt, A, Kratky, C. | Deposit date: | 1998-06-05 | Release date: | 1998-08-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the xylanase from Penicillium simplicissimum. Protein Sci., 7, 1998
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6YIQ
| tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex (P2) with 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-04-01 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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6YJW
| Structure of Fragaria ananassa O-methyltransferase crystallized with PAS polypeptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, O-methyltransferase, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2020-04-05 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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1OAA
| MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1997-08-25 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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5C9K
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6SCQ
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6GQQ
| Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6SCS
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1B1U
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6H3U
| Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.168 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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2YK0
| Structure of the N-terminal NTS-DBL1-alpha and CIDR-gamma double domain of the PfEMP1 protein from Plasmodium falciparum varO strain. | Descriptor: | ERYTHROCYTE MEMBRANE PROTEIN 1, MAGNESIUM ION, SULFATE ION | Authors: | Lewit-Bentley, A, Juillerat, A, Vigan-Womas, I, Guillotte, M, Hessel, A, Raynal, B, Mercereau-Puijalon, O, Bentley, G.A. | Deposit date: | 2011-05-25 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Abo Blood-Group Dependence of Plasmodium Falciparum Rosetting. Plos Pathog., 8, 2012
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4I7Y
| Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DNA (27-MER), ... | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2012-12-01 | Release date: | 2013-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer. Acta Crystallogr.,Sect.D, 69, 2013
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6VGI
| Crystal Structures of FLAP bound to MK-866 | Descriptor: | 3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid, 5-lipoxygenase-activating protein, SULFATE ION | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | Deposit date: | 2020-01-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP). Biochim Biophys Acta Gen Subj, 1865, 2020
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6GXR
| Crystal structure of BP39L lectin from Burkholderia pseudomallei at 1.7 A resolution | Descriptor: | BP39L lectin, SULFATE ION | Authors: | Sykorova, P, Novotna, J, Demo, G, Pompidor, G, Dubska, E, Komarek, J, Fujdiarova, E, Haronikova, L, Varrot, A, Imberty, A, Shilova, N, Bovin, N, Pokorna, M, Wimmerova, M. | Deposit date: | 2018-06-27 | Release date: | 2019-12-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold. Int.J.Biol.Macromol., 152, 2020
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6GYE
| Crystal structure of NadR protein in complex with NR | Descriptor: | Nicotinamide riboside, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, SULFATE ION | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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6GZP
| Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device | Descriptor: | Nanobody | Authors: | Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A. | Deposit date: | 2018-07-04 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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5MOP
| Joint X-ray/neutron structure of cationic trypsin in its apo form | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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7SP3
| E. coli RppH bound to Ap4A | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | Authors: | Serganov, A.A, Vasilyev, N, Nuthanakanti, A. | Deposit date: | 2021-11-02 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A distinct RNA recognition mechanism governs Np 4 decapping by RppH. Proc.Natl.Acad.Sci.USA, 119, 2022
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6SPD
| Pseudomonas aeruginosa 50s ribosome from a clinical isolate | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | Authors: | Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A. | Deposit date: | 2019-09-01 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate. Proc.Natl.Acad.Sci.USA, 116, 2019
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6YAL
| Mammalian 48S late-stage initiation complex with beta-globin mRNA | Descriptor: | 18S ribosomal RNA, 40S Ribosomal protein uS3, 40S Ribosomal protein uS7, ... | Authors: | Bochler, A, Simonetti, A, Guca, E, Hashem, Y. | Deposit date: | 2020-03-12 | Release date: | 2020-04-08 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural Insights into the Mammalian Late-Stage Initiation Complexes. Cell Rep, 31, 2020
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6YGK
| TGT Y330F mutant crystallised at pH 8.5 | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-27 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mutation study on tRNA-guanine transglycosylase for catalysis Testing To Be Published
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