2ZS1
| Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin | Descriptor: | CHLORIDE ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ... | Authors: | Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K. | Deposit date: | 2008-09-02 | Release date: | 2008-10-21 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin Biochemistry, 47, 2008
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6FNH
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6OZ5
| Escherichia coli tRNA synthetase in complex with compound 3 | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-05-15 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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6Y3Z
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6FNG
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.038 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNM
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib | Descriptor: | Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.157 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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7PTM
| Crystal Structure of Two-Domain Laccase mutant M199G/R240H from Streptomyces griseoflavus | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I. | Deposit date: | 2021-09-27 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. Int J Mol Sci, 23, 2021
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7PU0
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3UR2
| Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, IMIDAZOLE, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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3TCG
| Crystal structure of E. coli OppA complexed with the tripeptide KGE | Descriptor: | KGE Peptide, Periplasmic oligopeptide-binding protein | Authors: | Klepsch, M.M, Kovermann, M, Low, C, Balbach, J, de Gier, J.W, Slotboom, D.J, Berntsson, R.P.-A. | Deposit date: | 2011-08-09 | Release date: | 2011-10-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Escherichia coli peptide binding protein OppA has a preference for positively charged peptides. J.Mol.Biol., 414, 2011
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3ZQL
| DNA-bound form of TetR-like repressor SimR | Descriptor: | 5'-D(*DTP*TP*CP*GP*TP*AP*CP*GP*CP*CP*GP*TP*AP*DCP *GP*AP*A)-3', 5'-D(*DTP*TP*CP*GP*TP*AP*CP*GP*GP*CP*GP*TP*AP*DCP *GP*AP*A)-3', PUTATIVE REPRESSOR SIMREG2 | Authors: | Le, T.B.K, Schumacher, M.A, Lawson, D.M, Brennan, R.G, Buttner, M.J. | Deposit date: | 2011-06-10 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The Crystal Structure of the Tetr Family Transcriptional Repressor Simr Bound to DNA and the Role of a Flexible N-Terminal Extension in Minor Groove Binding. Nucleic Acids Res., 39, 2011
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5D1U
| Anthrax toxin lethal factor with hydroxamic acid inhibitor | Descriptor: | Lethal factor, N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2015-08-04 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8503 Å) | Cite: | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates. J.Med.Chem., 58, 2015
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3G1M
| EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | Descriptor: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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5EEV
| RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 3.88 MGy | Descriptor: | (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB | Authors: | Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B. | Deposit date: | 2015-10-23 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | RNA protects a nucleoprotein complex against radiation damage. Acta Crystallogr D Struct Biol, 72, 2016
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6HCJ
| Structure of the rabbit 80S ribosome on globin mRNA in the rotated state with A/P and P/E tRNAs | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Juszkiewicz, S, Chandrasekaran, V, Lin, Z, Kraatz, S, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2018-08-15 | Release date: | 2018-10-17 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | ZNF598 Is a Quality Control Sensor of Collided Ribosomes. Mol. Cell, 72, 2018
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6HCM
| Structure of the rabbit collided di-ribosome (stalled monosome) | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Juszkiewicz, S, Chandrasekaran, V, Lin, Z, Kraatz, S, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2018-08-15 | Release date: | 2018-10-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | ZNF598 Is a Quality Control Sensor of Collided Ribosomes. Mol. Cell, 72, 2018
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3P99
| Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol | Descriptor: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z. | Deposit date: | 2010-10-16 | Release date: | 2011-11-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol J.Lipid Res., 53, 2012
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3K7V
| Protein phosphatase 2A core complex bound to dinophysistoxin-1 | Descriptor: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Jeffrey, P.D, Huhn, J, Shi, Y. | Deposit date: | 2009-10-13 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A structural basis for the reduced toxicity of dinophysistoxin-2. Chem.Res.Toxicol., 22, 2009
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6Y6D
| Tubulin-7-Aminonoscapine complex | Descriptor: | (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Oliva, M.A, Prota, A.E, Rodriguez-Salarichs, J, Gu, W, Bennani, Y.L, Jimenez-Barbero, J, Canales, A, Steinmetz, M.O, Diaz, J.F. | Deposit date: | 2020-02-26 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Noscapine Activation for Tubulin Binding. J.Med.Chem., 63, 2020
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1QXD
| Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds | Descriptor: | FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ... | Authors: | Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J. | Deposit date: | 2003-09-05 | Release date: | 2003-09-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds J.Med.Chem., 47, 2004
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5JM4
| Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | Deposit date: | 2016-04-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. J. Med. Chem., 60, 2017
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4GU2
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6P8T
| Acinetobacter baumannii tRNA synthetase in complex with compound 1 | Descriptor: | MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-06-07 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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2HTW
| N4 neuraminidase in complex with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Neuraminidase | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2006-07-26 | Release date: | 2006-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Nature, 443, 2006
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1H4V
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