6T55
 
 | | Thrombin in Complex with Methylbenzylamine | | Descriptor: | 1-(4-methylphenyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2019-10-15 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Thrombin in Complex with Methylbenzylamine
To Be Published
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7YZN
 | | Structure of C-terminally truncated aIF5B from Pyrococcus abyssi complexed with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable translation initiation factor IF-2, ... | | Authors: | Bourgeois, G, Schmitt, E, Mechulam, Y, Coureux, P.D, Kazan, R. | | Deposit date: | 2022-02-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
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7A0E
 | | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | | Authors: | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | | Deposit date: | 2020-08-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
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6T7H
 | | Crystal structure of Thrombin in complex with macrocycle N14-PR4-A | | Descriptor: | (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Angelini, A, Kumar, M.G, Heinis, C, Cendron, L. | | Deposit date: | 2019-10-22 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
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7A0D
 | | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | | Authors: | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | | Deposit date: | 2020-08-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
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7A0F
 | | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | | Authors: | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | | Deposit date: | 2020-08-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
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6TOZ
 | | Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ACETIC ACID, Amylase, ... | | Authors: | Rozeboom, H.J, Janssen, D.B. | | Deposit date: | 2019-12-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
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7ZEA
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7YZX
 | | ScpA from Streptococcus pyogenes, D783A mutant. | | Descriptor: | C5a peptidase, CALCIUM ION, MALONIC ACID, ... | | Authors: | Kagawa, T.F, Cooney, J.C, Jain, M. | | Deposit date: | 2022-02-21 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity.
Data Brief, 46, 2023
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7ABO
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6ZZW
 | | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1 | | Descriptor: | Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ... | | Authors: | Lal, K, Bermeo, R, Imberty, A, Varrot, A. | | Deposit date: | 2020-08-05 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Chemistry, 27, 2021
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7ZCZ
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7ZB1
 | | S580A with 18mer | | Descriptor: | 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7ZB0
 | | macrocyclase OphP with 15mer | | Descriptor: | 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ... | | Authors: | Song, H, Naismith, J.H. | | Deposit date: | 2022-03-23 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
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7A20
 | | Azobenzene-Based Inhibitors for Tryptophan Synthase | | Descriptor: | SODIUM ION, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tryptophan synthase alpha chain,Tryptophan synthase beta chain | | Authors: | Rajendran, C, Sterner, R. | | Deposit date: | 2020-08-14 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Towards Photochromic Azobenzene-Based Inhibitors for Tryptophan Synthase.
Chemistry, 27, 2021
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4TTU
 | | N-terminally truncated dextransucrase DSR-E from Leuconostoc mesenteroides NRRL B-1299 in complex with isomaltotriose | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Dextransucrase, ... | | Authors: | Brison, Y, Remaud-Simeon, M, Mourey, L, Tranier, S. | | Deposit date: | 2014-06-23 | | Release date: | 2015-07-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural Insights into the Carbohydrate Binding Ability of an alpha-(12) Branching Sucrase from Glycoside Hydrolase Family 70.
J.Biol.Chem., 291, 2016
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7A1B
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-12 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.287 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7Z05
 | | White Bream virus N7-Methyltransferase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Shannon, A, Gauffre, P, Canard, B, Ferron, F. | | Deposit date: | 2022-02-22 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
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7A70
 | | HEW lysozyme in complex with Ti(OH)4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | | Authors: | Calderone, V, Gigli, L, Ravera, E, Luchinat, C. | | Deposit date: | 2020-08-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.
Biomolecules, 11, 2020
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7A76
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7ZA4
 | | GSTF sh155 mutant | | Descriptor: | Glutathione transferase, SODIUM ION | | Authors: | Papageorgiou, A.C. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
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7A0L
 | | Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole | | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | | Authors: | McGregor, L, Bui, S, Blakeley, M.P, Steiner, R.A. | | Deposit date: | 2020-08-09 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.33 Å), X-RAY DIFFRACTION | | Cite: | Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis.
Iucrj, 8, 2021
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6TKH
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 7keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6RGR
 | | Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... | | Authors: | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2019-04-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
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7YNE
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