4EJ5
 
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ... | | Authors: | Stura, E.A, Vera, L, Dive, V. | | Deposit date: | 2012-04-06 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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8QSJ
 | | Human mitoribosomal large subunit assembly intermediate 2 with GTPBP7 | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Ritter, C, Nguyen, T.G, Kummer, E. | | Deposit date: | 2023-10-10 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the role of GTPBP10 in the RNA maturation of the mitoribosome.
Nat Commun, 14, 2023
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2PMD
 | | The structures of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the GDP-bound form. | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PYROPHOSPHATE, ... | | Authors: | Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2007-04-21 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
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4EO5
 | | Yeast Asf1 bound to H3/H4G94P mutant | | Descriptor: | ACETATE ION, GLYCEROL, Histone H3.2, ... | | Authors: | Scorgie, J.K, Churchill, M.E. | | Deposit date: | 2012-04-13 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The conformational flexibility of the C-terminus of histone H4 promotes histone octamer and nucleosome stability and yeast viability.
Epigenetics Chromatin, 5, 2012
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3FNJ
 | | Crystal structure of the full-length lp_1913 protein from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR140 | | Descriptor: | protein lp_1913 | | Authors: | Seetharaman, J, Chen, Y, Forouhar, F, Sahdev, S, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-12-25 | | Release date: | 2009-01-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the full-length lp_1913 protein from Lactobacillus plantarum, Northeast Structural Genomics Consortium Target LpR140
To be Published
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8R6Q
 | | Co-crystal structure of PD-L1 with low molecular weight inhibitor | | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | | Authors: | Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J. | | Deposit date: | 2023-11-22 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
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2PLI
 | | Crystal structure of putative Mg2+ and Co2+ transporter(CorC)associated region from Neisseria meningitidis MC58 | | Descriptor: | ACETATE ION, GLYCEROL, Uncharacterized protein, ... | | Authors: | Nocek, B, Duggan, E, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-04-19 | | Release date: | 2007-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of putative Mg2+ and Co2+ transporter(CorC)associated region from Neisseria meningitidis MC58.
To be Published
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4EB9
 | | cIAP1-BIR3 in complex with a divalent Smac mimetic | | Descriptor: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide], Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Cossu, F, Mastrangelo, E, Bolognesi, M, Milani, M. | | Deposit date: | 2012-03-23 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic.
Plos One, 7, 2012
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4EBJ
 | | Crystal structure of aminoglycoside 4'-O-adenylyltransferase ANT(4')-IIb, apo | | Descriptor: | 1,2-ETHANEDIOL, Aminoglycoside nucleotidyltransferase, SULFATE ION | | Authors: | Stogios, P.J, Wawrzak, Z, Minasov, G, Evdokimova, E, Egorova, O, Yim, V, Kudritska, M, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-23 | | Release date: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of aminoglycoside 4'-O-adenylyltransferase ANT(4')-IIb, apo
To be Published
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8R37
 | | Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP) | | Descriptor: | FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ... | | Authors: | Papageorgiou, A.C, Varotsou, C, Labrou, N.E. | | Deposit date: | 2023-11-08 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination.
Int J Mol Sci, 25, 2023
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2PS7
 | | Y295F trichodiene synthase | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2007-05-04 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
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3FIX
 | | Crystal structure of a putative n-acetyltransferase (ta0374) from thermoplasma acidophilum | | Descriptor: | 1,2-ETHANEDIOL, N-ACETYLTRANSFERASE | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-12-12 | | Release date: | 2009-01-13 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
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4EL4
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Dive, V. | | Deposit date: | 2012-04-10 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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4EDY
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I, Kiefer, J.R. | | Deposit date: | 2012-03-27 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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3FNM
 | | Crystal structure of acivicin-inhibited gamma-glutamyltranspeptidase reveals critical roles for its C-terminus in autoprocessing and catalysis | | Descriptor: | (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID, Gamma-glutamyltranspeptidase (Ggt) Large subunit, Gamma-glutamyltranspeptidase (Ggt) Small subunit | | Authors: | Williams, K, Cullati, S, Sand, A, Biterova, E.I, Barycki, J.J. | | Deposit date: | 2008-12-25 | | Release date: | 2009-05-19 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Acivicin-Inhibited gamma-Glutamyltranspeptidase Reveals Critical Roles for Its C-Terminus in Autoprocessing and Catalysis.
Biochemistry, 48, 2009
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8RIJ
 | | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor.
J.Med.Chem., 67, 2024
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4ZKE
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4ESW
 | | Crystal structure of C. albicans Thi5 H66G mutant | | Descriptor: | CITRIC ACID, Pyrimidine biosynthesis enzyme THI13 | | Authors: | Fenwick, M.K, Huang, S, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-04-23 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
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8RE3
 | | Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) mutant M190G from Deinoccoccus radiodurans | | Descriptor: | CALCIUM ION, CHLORIDE ION, HYDROXIDE ION, ... | | Authors: | Salgueiro, B.A, Frade, K, Frazao, C, Matias, P, Moe, E. | | Deposit date: | 2023-12-10 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
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8RE2
 | | Crystal Structure determination of Dye-decolorizing Peroxidase (DyP) from Deinoccoccus radiodurans | | Descriptor: | GLYCEROL, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Salgueiro, B.A, Frade, K, Frazao, C, Moe, E. | | Deposit date: | 2023-12-10 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
Molecules, 29, 2024
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4EO8
 | | HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres | | Descriptor: | 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase | | Authors: | Appleby, T.C, Canales, E, Watkins, W.J. | | Deposit date: | 2012-04-13 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4ZL4
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842) | | Descriptor: | (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2015-05-01 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
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8S8W
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | Deposit date: | 2024-03-07 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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8RU1
 | | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | | Descriptor: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-01-29 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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4ZRA
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE | | Descriptor: | Lipoprotein LprG, Tripalmitoylglycerol | | Authors: | Martinot, A.J, Farrow, M, Bai, L, Layre, E, Cheng, T.Y, Tsai, J.H.C, Iqbal, J, Annand, J, Sullivan, Z, Hussain, M, Sacchettini, J, Moody, D.B, Seeliger, J, Rubin, E.J, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-05-12 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Mycobacterial Metabolic Syndrome: LprG and Rv1410 Regulate Triacylglyceride Levels, Growth Rate and Virulence in Mycobacterium tuberculosis.
Plos Pathog., 12, 2016
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