7OWJ
| Odinarchaeota Adenylate kinase (OdinAK) in complex with GTP | Descriptor: | Adenylate kinase, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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7P3U
| Chitin-active fungal AA11 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, putative | Authors: | Rohr, A.K, Stoepamo, F.G, Eijsink, V.G.H. | Deposit date: | 2021-07-08 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Characterization of a lytic polysaccharide monooxygenase from Aspergillus fumigatus shows functional variation among family AA11 fungal LPMOs. J.Biol.Chem., 297, 2021
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7P90
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7PBF
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7PQ2
| Crystal Structure of the Ring Nuclease 0811 from Sulfolobus islandicus (Sis0811) in its apo form | Descriptor: | CRISPR-associated protein, APE2256 family, CRISPR Ring Nuclease | Authors: | Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G. | Deposit date: | 2021-09-16 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases. Nucleic Acids Res., 49, 2021
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7PXQ
| GH115 alpha-1,2-glucuronidase D303A | Descriptor: | CALCIUM ION, xylan alpha-1,2-glucuronidase | Authors: | Wilkens, C, Morth, J.P, Polikarpov, I. | Deposit date: | 2021-10-08 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis. Acta Crystallogr D Struct Biol, 78, 2022
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7PTZ
| High resolution X-ray structure of E. coli expressed Lentinus similis LPMO. | Descriptor: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION | Authors: | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-09-27 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.093 Å) | Cite: | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases. Biomolecules, 12, 2022
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7PU1
| High resolution X-ray structure of Thermoascus aurantiacus LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L. | Deposit date: | 2021-09-28 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases. Biomolecules, 12, 2022
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7Q1Y
| X-ray structure of human A2ML1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1, ... | Authors: | Andersen, G.R, Zarantonello, A, Enghild, J.J, Nielsen, N.S. | Deposit date: | 2021-10-22 | Release date: | 2022-04-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family. Nat Commun, 13, 2022
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4YDQ
| Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Plasmodium falciparum in complex with Halofuginone and AMPPNP | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Yogavel, M, Sharma, A. | Deposit date: | 2015-02-23 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Prolyl-tRNA Synthetase-Halofuginone Complex Provides Basis for Development of Drugs against Malaria and Toxoplasmosis Structure, 23, 2015
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5IDI
| Structure of beta glucosidase 1A from Thermotoga neapolitana, mutant E349A | Descriptor: | 1,4-beta-D-glucan glucohydrolase, ACETATE ION | Authors: | Kulkarni, T, Nordberg Karlsson, E, Logan, D.T. | Deposit date: | 2016-02-24 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of beta-glucosidase 1A from Thermotoga neapolitana and comparison of active site mutants for hydrolysis of flavonoid glucosides. Proteins, 85, 2017
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8ORC
| Mus Musculus Acetylcholinesterase in complex with AL237 | Descriptor: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Ekstrom, F.E, Linusson, A. | Deposit date: | 2023-04-13 | Release date: | 2024-04-24 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme Dynamics Determine the Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes. Acs Infect Dis., 2024
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8OZ3
| Crystal structure of scFv ATOR 1017 bound to human 4-1BB | Descriptor: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | Authors: | Hakansson, M, Von Schantz, L, Rose, N. | Deposit date: | 2023-05-08 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1. Cancer Immunol.Immunother., 72, 2023
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8Q1Q
| mouse Keap1 in complex with stapled peptide | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION, Stapled peptide, ... | Authors: | Kack, H, Wissler, L. | Deposit date: | 2023-08-01 | Release date: | 2023-10-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.378 Å) | Cite: | A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci, 14, 2023
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5I8Q
| S. cerevisiae Prp43 in complex with RNA and ADPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, ... | Authors: | He, Y, Nielsen, K.H, Andersen, G.R. | Deposit date: | 2016-02-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the DEAH/RHA ATPase Prp43p bound to RNA implicates a pair of hairpins and motif Va in translocation along RNA. RNA, 23, 2017
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8Q1R
| mouse Keap1 in complex with stapled peptide | Descriptor: | Kelch-like ECH-associated protein 1, SODIUM ION, SULFATE ION, ... | Authors: | Kack, H, Wissler, L. | Deposit date: | 2023-08-01 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci, 14, 2023
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8POF
| The crystal structure of RsSymEG1 reveals a unique form of smaller GH7 endoglucanases alongside GH7 cellobiohydrolases in protist symbionts of termites | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative glycosyl hydrolase family7, SODIUM ION | Authors: | Haataja, T, Sandgren, M, Hansson, H, Stahlberg, J. | Deposit date: | 2023-07-04 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structure of RsSymEG1 reveals a unique form of smaller GH7 endoglucanases alongside GH7 cellobiohydrolases in protist symbionts of termites. Febs J., 291, 2024
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5IUQ
| Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.121 Å) | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands To Be Published
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5J0G
| Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8 | Descriptor: | OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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8Q6S
| A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | Authors: | Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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5JOM
| X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | Deposit date: | 2016-05-02 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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8R4U
| Structure of salt-inducible kinase 3 with inhibitors | Descriptor: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | Authors: | Kack, H, Oster, L. | Deposit date: | 2023-11-14 | Release date: | 2024-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.416 Å) | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
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5JTU
| Crystal structure of GPb in complex with 8b | Descriptor: | (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2016-05-09 | Release date: | 2016-08-24 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase. Eur.J.Med.Chem., 123, 2016
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8R4Q
| Salt inducible kinase 3 in complex with inhibitor | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | Authors: | Kack, H, Oster, L. | Deposit date: | 2023-11-14 | Release date: | 2024-03-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.838 Å) | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
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5JTT
| Crystal structure of GPb in complex with 8a | Descriptor: | (1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2016-05-09 | Release date: | 2016-08-24 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase. Eur.J.Med.Chem., 123, 2016
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