6S3T
| P46, an immunodominant surface protein from Mycoplasma hyopneumoniae | Descriptor: | 46 kDa surface antigen, Immunoglobulin heavy chain, Immunoglobulin light chain, ... | Authors: | Guasch, A, Gonzalez-Gonzalez, L, Fita, I. | Deposit date: | 2019-06-26 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody. Acta Crystallogr D Struct Biol, 76, 2020
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5T0B
| Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | Authors: | Wilson, I.A, Tzarum, N, Zhu, X. | Deposit date: | 2016-08-15 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors. EMBO Mol Med, 9, 2017
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1EC8
| E. COLI GLUCARATE DEHYDRATASE BOUND TO PRODUCT 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE | Descriptor: | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE, GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, ... | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | Deposit date: | 2000-01-25 | Release date: | 2000-05-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli. Biochemistry, 39, 2000
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6RTP
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8TQV
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-08 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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8TRY
| Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-10 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
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2XMY
| Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | Descriptor: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | Deposit date: | 2010-07-29 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents Chem.Biol., 17, 2010
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5OM9
| Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor | Descriptor: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D. | Deposit date: | 2017-07-28 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library. ACS Med Chem Lett, 8, 2017
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3QV8
| Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid. | Descriptor: | 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase | Authors: | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2011-02-25 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site. J.Biol.Chem., 286, 2011
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6RWD
| Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution | Descriptor: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, CHLORIDE ION, GLUTATHIONE, ... | Authors: | Olfsen, J, Pandian, R, Sayed, Y, Dirr, H.W, Achilonu, I.A. | Deposit date: | 2019-06-04 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies. Mol.Biochem.Parasitol., 240, 2020
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1EJI
| RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (MOUSE) | Descriptor: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Szebenyi, D.M.E, Liu, X, Kriksunov, I.A, Stover, P.J, Thiel, D.J. | Deposit date: | 2000-03-02 | Release date: | 2000-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a murine cytoplasmic serine hydroxymethyltransferase quinonoid ternary complex: evidence for asymmetric obligate dimers. Biochemistry, 39, 2000
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7POY
| Spin labeled IPNS S55C variant in complex with Fe, ACV and NO | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Clifton, I, Walla, C, Schofield, C.J. | Deposit date: | 2021-09-10 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase. J.Biol.Chem., 298, 2022
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6SUI
| AMICOUMACIN KINASE AMIN | Descriptor: | PENTAETHYLENE GLYCOL, Phosphotransferase enzyme family protein | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-14 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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7Q12
| Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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2JG2
| HIGH RESOLUTION STRUCTURE OF SPT WITH PLP INTERNAL ALDIMINE | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE | Authors: | Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J. | Deposit date: | 2007-02-07 | Release date: | 2007-05-01 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis. J.Mol.Biol., 370, 2007
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2K2R
| The NMR structure of alpha-parvin CH2/paxillin LD1 complex | Descriptor: | Alpha-parvin, Paxillin | Authors: | Wang, X, Fukuda, K, Byeon, I, Velyvis, A, Wu, C, Gronenborn, A, Qin, J. | Deposit date: | 2008-04-10 | Release date: | 2008-05-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The Structure of {alpha}-Parvin CH2-Paxillin LD1 Complex Reveals a Novel Modular Recognition for Focal Adhesion Assembly. J.Biol.Chem., 283, 2008
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6SPT
| High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity | Descriptor: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G. | Deposit date: | 2019-09-02 | Release date: | 2020-01-01 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. J.Med.Chem., 63, 2020
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6N8S
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7Q13
| Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate, uridine diphosphate, and glucose | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0S
| Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-16 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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1NX4
| The crystal structure of carbapenem synthase (CarC) | Descriptor: | 2-OXOGLUTARIC ACID, Carbapenem synthase, FE (III) ION | Authors: | Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J. | Deposit date: | 2003-02-08 | Release date: | 2003-06-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of carbapenem synthase (CarC). J.Biol.Chem., 278, 2003
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6W00
| Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein | Descriptor: | Fab239 heavy chain, Fab239 light chain, Immunoglobulin G-binding protein G, ... | Authors: | Pholcharee, T, Oyen, D, Wilson, I.A. | Deposit date: | 2020-02-28 | Release date: | 2020-07-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum. Nat Commun, 12, 2021
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2F59
| Lumazine synthase RibH1 from Brucella abortus (Gene BruAb1_0785, Swiss-Prot entry Q57DY1) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase 1, CALCIUM ION | Authors: | Klinke, S, Zylberman, V, Bonomi, H.R, Haase, I, Guimaraes, B.G, Braden, B.C, Bacher, A, Fischer, M, Goldbaum, F.A. | Deposit date: | 2005-11-25 | Release date: | 2006-11-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales J.Mol.Biol., 373, 2007
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1GEE
| Crystal structure of glucose dehydrogenase mutant Q252L complexed with NAD+ | Descriptor: | GLUCOSE 1-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yamamoto, K, Kurisu, G, Kusunoki, M, Tabata, S, Urabe, I, Osaki, S. | Deposit date: | 2000-11-07 | Release date: | 2003-08-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of stability-increasing mutants of glucose dehydrogenase To be Published
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7S50
| Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ... | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | Deposit date: | 2021-09-09 | Release date: | 2021-10-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source. J.Synchrotron Radiat., 29, 2022
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