3LG5
 
 | | F198A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | | Deposit date: | 2010-01-19 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
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4RN2
 | | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | | Descriptor: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Decroos, C, Christianson, D.W. | | Deposit date: | 2014-10-22 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
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3LP4
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4O1M
 | | Toxoplasma gondii Enoyl acyl carrier protein reductase | | Descriptor: | Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Muench, S.P, Wilkinson, C, Prigge, S.T, Rice, D.W. | | Deposit date: | 2013-12-16 | | Release date: | 2014-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target
Bioorg.Med.Chem.Lett., 24, 2014
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4RZC
 | | Fv M6P-1 in complex with mannose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, Fv M6P-1 heavy chain, Fv M6P-1 light chain, ... | | Authors: | Blackler, R.J, Evans, D.W, Evans, S.V, Muller-Loennies, S. | | Deposit date: | 2014-12-19 | | Release date: | 2015-11-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.723 Å) | | Cite: | Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishes N-glycan phosphorylation in a branch-specific manner.
Glycobiology, 26, 2016
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3LX4
 | | Stepwise [FeFe]-hydrogenase H-cluster assembly revealed in the structure of HydA(deltaEFG) | | Descriptor: | ACETATE ION, CHLORIDE ION, Fe-hydrogenase, ... | | Authors: | Mulder, D.W, Boyd, E.S, Sarma, R, Lange, R.K, Endrizzi, J.A, Broderick, J.B, Peters, J.W. | | Deposit date: | 2010-02-24 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Stepwise [FeFe]-hydrogenase H-cluster assembly revealed in the structure of HydA(DeltaEFG).
Nature, 465, 2010
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3LXR
 | | Shigella IpgB2 in complex with human RhoA and GDP (complex C) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IpgB2, SULFATE ION, ... | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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3LWN
 | | Shigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex B) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IpgB2, MAGNESIUM ION, ... | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-24 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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3LYQ
 | | Crystal structure of IpgB2 from Shigella flexneri | | Descriptor: | CITRATE ANION, IpgB2, MU-OXO-DIIRON | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-28 | | Release date: | 2010-03-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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3LXX
 | | Crystal structure of human GTPase IMAP family member 4 | | Descriptor: | GTPase IMAP family member 4, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Shen, Y, Nedyalkova, L, Tong, Y, Tempel, W, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of human GTPase IMAP family member 4
to be published
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4PCS
 | | Crystal structure of a bacterial fucosidase with iminosugar (2S,3S,4R,5S)-3,4-dihydroxy-2-[2'-phenyl]ethynyl-5-methylpyrrolidine | | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | | Authors: | Davies, G.J, Wright, D.W, Behr, J.B. | | Deposit date: | 2014-04-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
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7JQL
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-001, mRNA, and deacylated P-site tRNA at 3.00A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M. | | Deposit date: | 2020-08-11 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens.
J.Med.Chem., 63, 2020
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4RKJ
 | | Crystal structure of thrombin mutant S195T (free form) | | Descriptor: | GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ... | | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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4PHB
 | | Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, Gadolinium derivative | | Descriptor: | GADOLINIUM ATOM, Uncharacterized protein | | Authors: | Close, D.W, D'Angelo, S, Bradbury, A.R.M. | | Deposit date: | 2014-05-06 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1781 Å) | | Cite: | A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
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4PTD
 | | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT D274N | | Descriptor: | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | | Authors: | Heinz, D.W. | | Deposit date: | 1997-07-18 | | Release date: | 1998-01-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
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4RVE
 | | THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA SEGMENTS | | Descriptor: | DNA (5'-D(*GP*GP*GP*AP*TP*AP*TP*CP*CP*C)-3'), PROTEIN (ECO RV (E.C.3.1.21.4)) | | Authors: | Winkler, F.K, Banner, D.W, Oefner, C, Tsernoglou, D, Brown, R.S, Heathman, S.P, Bryan, R.K, Martin, P.D, Petratos, K, Wilso, K.S. | | Deposit date: | 1993-02-18 | | Release date: | 1993-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments.
EMBO J., 12, 1993
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4RKO
 | | Crystal structure of thrombin mutant S195T bound with PPACK | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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4PS1
 | | Caspase-8 specific unnatural amino acid peptides | | Descriptor: | (BAL)LQ(HYP)(1U8) PEPTIDE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | | Authors: | Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E. | | Deposit date: | 2014-03-06 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.731 Å) | | Cite: | Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids.
Acs Chem.Biol., 9, 2014
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3KA0
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4PEE
 | | Crystal structure of a bacterial fucosidase with inhibitor 1-phenyl-4-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]triazole | | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | | Authors: | Wright, D.W, Davies, G.J, Behr, J.B. | | Deposit date: | 2014-04-23 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
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7JQM
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-002, mRNA, and deacylated P-site tRNA at 3.05A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M. | | Deposit date: | 2020-08-11 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens.
J.Med.Chem., 63, 2020
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4RLA
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4PCT
 | | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | | Descriptor: | (2S,3S,4R,5S)-2-ethynyl-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2014-04-16 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
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4PEU
 | | Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, native form with Calcium bound | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | Close, D.W, D'Angelo, S, Bradbury, A.R.M. | | Deposit date: | 2014-04-24 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8001 Å) | | Cite: | A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
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4RKX
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