5ZBY
 
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5ZNK
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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6U9M
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2019-09-09 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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5IN1
 | | Crystal Structure of the MRG701 chromodomain | | Descriptor: | 1,2-ETHANEDIOL, MRG701, SULFATE ION | | Authors: | Huang, Y, Liu, Y. | | Deposit date: | 2016-03-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants
Protein Cell, 7, 2016
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5I3Q
 | | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29 | | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2016-02-10 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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5I2R
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1cccc(c1)OC(F)(F)F)C=CC2=O)c3ccnn3c4ccccc4, micromolar IC50=0.019462 | | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Koerner, M, Rudolph, M.G. | | Deposit date: | 2016-02-09 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5I60
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6U81
 | | Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2019-09-04 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
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5IEO
 | | Structure of CDL2.3a, a computationally designed Vitamin-D3 binder | | Descriptor: | 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a | | Authors: | Stoddard, B.L, Doyle, L.A. | | Deposit date: | 2016-02-25 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
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6CH1
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4ZW1
 | | Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | Liu, B, Zhang, S, Guo, M, Tian, M. | | Deposit date: | 2015-05-19 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer
To Be Published
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5VYZ
 | | Crystal structure of Lactococcus lactis pyruvate carboxylase in complex with cyclic-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2017-05-26 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1AQZ
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5UXW
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5VVW
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4ZVF
 | | Crystal structure of GGDEF domain of the E. coli DosC - form II (GTP-alpha-S-bound) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Diguanylate cyclase DosC, ... | | Authors: | Tarnawski, M, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2015-05-18 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural analysis of an oxygen-regulated diguanylate cyclase.
Acta Crystallogr.,Sect.D, 71, 2015
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3HRH
 | | Crystal Structure of Antigen 85C and Glycerol | | Descriptor: | Antigen 85-C, GLYCEROL | | Authors: | Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R. | | Deposit date: | 2009-06-09 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
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6UOM
 | | Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Smith, M.R, Freudenthal, B.D. | | Deposit date: | 2019-10-15 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
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5B4C
 | | Crystal structure of H10N mutant of LpxH with manganese | | Descriptor: | GLYCEROL, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Okada, C, Wakabayashi, H, Yao, M, Tanaka, I. | | Deposit date: | 2016-04-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016
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7NCL
 | | Glutathione-S-transferase GliG mutant E82Q | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NCO
 | | Glutathione-S-transferase GliG mutant K127R | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NCP
 | | Glutathione-S-transferase GliG mutant K127A | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG, SODIUM ION | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6CNZ
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1B63
 | | MUTL COMPLEXED WITH ADPNP | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MUTL, ... | | Authors: | Yang, W. | | Deposit date: | 1999-01-20 | | Release date: | 1999-06-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transformation of MutL by ATP binding and hydrolysis: a switch in DNA mismatch repair.
Cell(Cambridge,Mass.), 97, 1999
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3J1W
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