1DZX
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7RPV
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6SDS
| HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2019-07-29 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020
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6SP7
| Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | Descriptor: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ... | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2019-08-31 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections. J.Med.Chem., 63, 2020
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8THF
| SARS-CoV-2 BA.1 S-6P-no-RBD | 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 protein S1,Spike glycoprotein | Authors: | Bu, F, Li, F, Liu, B. | Deposit date: | 2023-07-15 | Release date: | 2024-07-17 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Universal subunit vaccine protects against multiple SARS-CoV-2 variants and SARS-CoV. Npj Vaccines, 9, 2024
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1DZW
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6S9J
| Crystal structure of TfR1 mimicry in complex with GP1 from MACV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex, ... | Authors: | Diskin, R, Cohen-Dvashi, H. | Deposit date: | 2019-07-15 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Rational design of universal immunotherapy for TfR1-tropic arenaviruses. Nat Commun, 11, 2020
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6H23
| Crystal structure of the hClpP Y118A mutant with an activating small molecule | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Kick, L.M, Sieber, S.A, Schneider, S. | Deposit date: | 2018-07-13 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Selective Activation of Human Caseinolytic Protease P (ClpP). Angew. Chem. Int. Ed. Engl., 57, 2018
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6PNM
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1E1X
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6PR4
| D262N/S128A S. typhimurium siroheme synthase | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | Authors: | Pennington, J.M, Stroupe, M.E. | Deposit date: | 2019-07-10 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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6PRZ
| XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6P14
| Structure of spastin AAA domain (T692A mutant) in complex with a diaminotriazole-based inhibitor (crystal form B) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, ACETATE ION, ... | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | Deposit date: | 2019-05-17 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93001127 Å) | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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7RRB
| IDO1 IN COMPLEX WITH COMPOUND 9 | Descriptor: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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7RRC
| IDO1 IN COMPLEX WITH COMPOUND 14 | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | Authors: | Lesburg, C.A. | Deposit date: | 2021-08-09 | Release date: | 2022-03-16 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. J.Med.Chem., 65, 2022
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8R51
| Mouse teneurin-3 non-compact subunit - A1B1 isoform | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-3 | Authors: | Gogou, C, Meijer, D.H. | Deposit date: | 2023-11-15 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Alternative splicing controls teneurin-3 compact dimer formation for neuronal recognition. Nat Commun, 15, 2024
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8R54
| Mouse teneurin-3 non-compact subunit - A0B0 isoform | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-3, ... | Authors: | Gogou, C, Meijer, D.H. | Deposit date: | 2023-11-15 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Alternative splicing controls teneurin-3 compact dimer formation for neuronal recognition. Nat Commun, 15, 2024
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8QRE
| Cholera holotoxin (wildtype) | Descriptor: | ACETATE ION, Cholera enterotoxin subunit A, Cholera enterotoxin subunit B, ... | Authors: | Mojica, N, Cordara, G, Krengel, U. | Deposit date: | 2023-10-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Using Vibrio natriegens for High-Yield Production of Challenging Expression Targets and for Protein Perdeuteration. Biochemistry, 63, 2024
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8GP7
| Structure of Trioxacarcin A covalently bound to RET G4-DNA | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), Trioxacarcin A, bound form | Authors: | Yin, S, Cao, C. | Deposit date: | 2022-08-25 | Release date: | 2023-09-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Trioxacarcin A Interactions with G-Quadruplex DNA Reveal Its Potential New Targets as an Anticancer Agent. J.Med.Chem., 66, 2023
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8GJ9
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7RDE
| Human Triose Phosphate Isomerase Q181P | Descriptor: | BROMIDE ION, CALCIUM ION, Triosephosphate isomerase | Authors: | VanDemark, A.P, Kowalski, J. | Deposit date: | 2021-07-09 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Itavastatin and resveratrol increase triosephosphate isomerase protein in a newly identified variant of TPI deficiency. Dis Model Mech, 15, 2022
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8GJA
| RAD51C-XRCC3 structure | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ... | Authors: | Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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1DZV
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6GG4
| Crystal structure of M2 PYK in complex with Phenyalanine. | Descriptor: | PHENYLALANINE, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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8GJ8
| RAD51C C-terminal domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C | Authors: | Arvai, A.S, Tainer, J.A, Williams, G. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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