6I4Q
 
 | | Crystal structure of the human dihydrolipoamide dehydrogenase at 1.75 Angstrom resolution | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | | Authors: | Nagy, B, Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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7FMG
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06C09 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMM
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06D09 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMT
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06E09 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ethyl 2-aminopyridine-4-carboxylate | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FMZ
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P06F08 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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3C19
 | | Crystal structure of protein MK0293 from Methanopyrus kandleri AV19 | | Descriptor: | GLYCEROL, PHOSPHATE ION, Uncharacterized protein MK0293 | | Authors: | Patskovsky, Y, Romero, R, Bonanno, J.B, Malashkevich, V, Dickey, M, Chang, S, Koss, J, Bain, K, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-01-22 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of protein MK0293 from Methanopyrus kandleri AV19.
To be Published
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7FN9
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A05 from the F2X-Universal Library | | Descriptor: | 4-(4-ethylpiperazin-1-yl)aniline, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FNF
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B10 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FNN
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D07 from the F2X-Universal Library | | Descriptor: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FNW
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F07 from the F2X-Universal Library | | Descriptor: | 2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FO4
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07G08 from the F2X-Universal Library | | Descriptor: | 4-(2-methylpropoxy)benzohydrazide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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3BM5
 | | Crystal structure of O-acetyl-serine sulfhydrylase from Entamoeba histolytica in complex with cysteine | | Descriptor: | CYSTEINE, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Krishna, C, Kumar, M, Kumar, S, Gourinath, S. | | Deposit date: | 2007-12-12 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of native O-acetyl-serine sulfhydrylase from Entamoeba histolytica and its complex with cysteine: structural evidence for cysteine binding and lack of interactions with serine acetyl transferase.
Proteins, 72, 2008
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7FOF
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08A10 from the F2X-Universal Library | | Descriptor: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7VEW
 | | Crystal structure of bacterial chemotaxis-dependent pectin-binding protein SPH1118 in complex with unsaturated trigalacturonic acid | | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Anamizu, K, Takase, R, Hio, M, Watanebe, D, Mikami, B, Hashimoto, W. | | Deposit date: | 2021-09-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Substrate size-dependent conformational changes of bacterial pectin-binding protein crucial for chemotaxis and assimilation.
Sci Rep, 12, 2022
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7FON
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C04 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, DIMETHYL SULFOXIDE, N-(2-aminoethyl)-2-cyclohexylacetamide, ... | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FOY
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E10 from the F2X-Universal Library | | Descriptor: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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3C3W
 | | Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR | | Descriptor: | SULFATE ION, TWO COMPONENT TRANSCRIPTIONAL REGULATORY PROTEIN DEVR | | Authors: | Wisedchaisri, G, Wu, M, Sherman, D.R, Hol, W.G.J. | | Deposit date: | 2008-01-28 | | Release date: | 2008-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the response regulator DosR from Mycobacterium tuberculosis suggest a helix rearrangement mechanism for phosphorylation activation
J.Mol.Biol., 378, 2008
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7VEQ
 | | Crystal structure of bacterial chemotaxis-dependent pectin-binding protein SPH1118 in an open conformation | | Descriptor: | GLYCEROL, SPH1118 | | Authors: | Anamizu, K, Takase, R, Hio, M, Watanebe, D, Mikami, B, Hashimoto, W. | | Deposit date: | 2021-09-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Substrate size-dependent conformational changes of bacterial pectin-binding protein crucial for chemotaxis and assimilation.
Sci Rep, 12, 2022
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6I9N
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and L-2-hydroxyglutarate | | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-24 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.361 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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7FP6
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08G05 from the F2X-Universal Library | | Descriptor: | (3R)-3-amino-3-phenylpropanenitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FPC
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P09D07 from the F2X-Universal Library | | Descriptor: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7VET
 | | Crystal structure of bacterial chemotaxis-dependent pectin-binding protein SPH1118 in a closed conformation | | Descriptor: | SPH1118 | | Authors: | Anamizu, K, Takase, R, Hio, M, Watanebe, D, Mikami, B, Hashimoto, W. | | Deposit date: | 2021-09-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Substrate size-dependent conformational changes of bacterial pectin-binding protein crucial for chemotaxis and assimilation.
Sci Rep, 12, 2022
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3C4S
 | | Crystal structure of the Ssl0352 protein from Synechocystis sp. Northeast Structural Genomics Consortium target SgR42 | | Descriptor: | Ssl0352 protein | | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-01-30 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the Ssl0352 protein from Synechocystis sp.
To be Published
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7BIA
 | | Crystal structure of human GSTP1 bound to iberin | | Descriptor: | 1-isothiocyanato-3-methylsulfinyl-propane, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, ... | | Authors: | Schwartz, M, Neiers, F. | | Deposit date: | 2021-01-12 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Role of human salivary enzymes in bitter taste perception.
Food Chem, 386, 2022
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7VEV
 | | Crystal structure of bacterial chemotaxis-dependent pectin-binding protein SPH1118 in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, SPH1118 | | Authors: | Anamizu, K, Takase, R, Hio, M, Watanebe, D, Mikami, B, Hashimoto, W. | | Deposit date: | 2021-09-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Substrate size-dependent conformational changes of bacterial pectin-binding protein crucial for chemotaxis and assimilation.
Sci Rep, 12, 2022
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