6HY7
 
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6OEZ
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ... | | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2019-03-28 | | Release date: | 2019-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
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4QB2
 | | Structure of CBM35 in complex with glucuronic acid | | Descriptor: | CALCIUM ION, Xyn30D, alpha-D-glucopyranuronic acid, ... | | Authors: | Sainz-Polo, M.A, Sanz-Aparicio, J. | | Deposit date: | 2014-05-06 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of Glucuronoxylan-specific Xyn30D and Its Attached CBM35 Domain Gives Insights into the Role of Modularity in Specificity.
J.Biol.Chem., 289, 2014
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2DYU
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8G46
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2 | | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ... | | Authors: | Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S. | | Deposit date: | 2023-02-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
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5FIV
 | | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | | Descriptor: | RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-12-02 | | Release date: | 1998-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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3MF1
 | | Crystal structure of class II aaRS homologue (Bll0957) complexed with an analogue of glycyl adenylate | | Descriptor: | 5'-O-(glycylsulfamoyl)adenosine, Bll0957 protein, ZINC ION | | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | | Deposit date: | 2010-04-01 | | Release date: | 2010-07-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
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3IXS
 | | Ring1B C-terminal domain/RYBP C-terminal domain Complex | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, E3 ubiquitin-protein ligase RING2, ... | | Authors: | Wang, R, Taylor, A.B, Kim, C.A. | | Deposit date: | 2009-09-04 | | Release date: | 2010-08-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Polycomb Group Targeting through Different Binding Partners of RING1B C-Terminal Domain.
Structure, 18, 2010
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4HY0
 | | Crystal structure of XIAP BIR3 with T3256336 | | Descriptor: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Snell, G.S, Dougan, D.R. | | Deposit date: | 2012-11-12 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
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5CMB
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5MIG
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 16-th structure of the series with total exposition time 453 min. The crystal was quick refreezing before this data collection. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2016-11-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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8ARN
 | | Crystal structure of the peptide binding protein, OppA, from Bacillus subtilis in complex with an endogenous tetrapeptide | | Descriptor: | Endogenous tetrapeptide (SER-ASN-SER-SER), Oligopeptide-binding protein OppA | | Authors: | Hughes, A, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2022-08-17 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
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6OWP
 | | Horse liver F93W alcohol dehydrogenase complexed with NAD and trifluoroethanol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | | Authors: | Plapp, B.V. | | Deposit date: | 2019-05-10 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer.
Biochemistry, 59, 2020
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5TH4
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5FO4
 | | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) | | Descriptor: | LEUCYL TRNA SYNTHASE | | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | | Deposit date: | 2015-11-18 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5FOC
 | | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P21) | | Descriptor: | LEUCYL-TRNA SYNTHETASE | | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5FOD
 | | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3 | | Descriptor: | 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE | | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5FOF
 | | Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain | | Descriptor: | LEUCYL-TRNA SYNTHETASE | | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5THJ
 | | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 | | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | | Authors: | Dick, B, Cohen, S. | | Deposit date: | 2016-09-29 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
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5G4Q
 | | H.pylori Beta clamp in complex with 5-chloroisatin | | Descriptor: | 5-chloro-1H-indole-2,3-dione, DNA POLYMERASE III SUBUNIT BETA | | Authors: | Pandey, P, Gourinath, S. | | Deposit date: | 2016-05-16 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
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2DYV
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7N66
 | | BACE-1 in complex with ligand 12 | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2021-06-07 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
J.Med.Chem., 64, 2021
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5MXE
 | | Photorhabdus asymbiotica lectin (PHL) in free form | | Descriptor: | CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION | | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | | Deposit date: | 2017-01-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
PLoS Pathog., 13, 2017
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7DUQ
 | | Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | | Deposit date: | 2021-01-11 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
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3MEY
 | | Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bll0957 protein, MAGNESIUM ION, ... | | Authors: | Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N. | | Deposit date: | 2010-04-01 | | Release date: | 2010-07-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
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