6GK0
| HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | Deposit date: | 2018-05-17 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology. J.Biol.Chem., 295, 2020
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6GNE
| Catalytic domain of Starch Synthase IV from Arabidopsis thaliana bound to ADP and 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, ADENOSINE-5'-DIPHOSPHATE, Probable starch synthase 4, ... | Authors: | Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Striebeck, A, Palcic, M.M. | Deposit date: | 2018-05-30 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases. Front Plant Sci, 9, 2018
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6GHB
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6GOL
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6GL4
| Structure of GluA2o ligand-binding domain (S1S2J) in complex with glutamate and sodium bromide at 1.95 A resolution | Descriptor: | ACETATE ION, BROMIDE ION, GLUTAMIC ACID, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2018-05-22 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Nanoscale Mobility of the Apo State and TARP Stoichiometry Dictate the Gating Behavior of Alternatively Spliced AMPA Receptors. Neuron, 102, 2019
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6EKI
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6EOL
| Human galectin-3c in complex with a galactose derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | Deposit date: | 2017-10-09 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions. ChemMedChem, 13, 2018
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6GRN
| CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site | Descriptor: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Sandgren, M, Fagerstrom, A, Widmalm, G, Stahlberg, J. | Deposit date: | 2018-06-11 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A. Chemistry, 24, 2018
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6GIV
| Structure of GluA2-N775S ligand-binding domain (S1S2J) in complex with glutamate and Rubidium Bromide at 1.75 A resolution | Descriptor: | BROMIDE ION, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2018-05-15 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Nanoscale Mobility of the Apo State and TARP Stoichiometry Dictate the Gating Behavior of Alternatively Spliced AMPA Receptors. Neuron, 102, 2019
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5ECD
| Structure of the Shigella flexneri VapC mutant D98N crystal form 1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, tRNA(fMet)-specific endonuclease VapC | Authors: | Xu, K. | Deposit date: | 2015-10-20 | Release date: | 2016-02-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural analysis of the active site architecture of the VapC toxin from Shigella flexneri. Proteins, 84, 2016
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6HA5
| AFGH61B L90V/D131S/M134L/A141W VARIANT | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | Authors: | Lo Leggio, L, Poulsen, J.C.N. | Deposit date: | 2018-08-07 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant. Carbohydr. Res., 469, 2018
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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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6HYG
| Heteromeric tandem IgG4/IgG1 Fc | Descriptor: | IgHG1 and IgHG4 hybrid, ZINC ION | Authors: | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | Deposit date: | 2018-10-21 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
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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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3EBO
| Glycogen Phosphorylase b/Chrysin complex | Descriptor: | Glycogen phosphorylase, muscle form, chrysin | Authors: | Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M. | Deposit date: | 2008-08-28 | Release date: | 2009-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol Food Chem.Toxicol., 61, 2013
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5ED0
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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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5DWC
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6I76
| Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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7PFL
| The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution | Descriptor: | Replicase polyprotein 1ab, SODIUM ION | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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6I8C
| Crystal structure of the murine beta-2-microglobulin. | Descriptor: | Beta-2-microglobulin, TRIETHYLENE GLYCOL | Authors: | Achour, A, Sandalova, T, Ricagno, S, Sun, R. | Deposit date: | 2018-11-20 | Release date: | 2019-10-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity. Febs J., 287, 2020
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6I9X
| urate oxidase under 35 bar of argon | Descriptor: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N. | Deposit date: | 2018-11-26 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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7PHF
| Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | Authors: | Dinis, P, MetsaKetela, M. | Deposit date: | 2021-08-17 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Evolution-inspired engineering of anthracycline methyltransferases. Pnas Nexus, 2, 2023
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7PFM
| A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | Descriptor: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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