8AGQ
| Crystal structure of anthocyanin-related GSTF8 from Populus trichocarpa in complex with (-)-catechin and glutathione | Descriptor: | (2~{S},3~{R})-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2~{H}-chromene-3,5,7-triol, GLUTATHIONE, Glutathione transferase, ... | Authors: | Eichenberger, M, Hueppi, S, Schwander, T, Mittl, P, Buller, M.R. | Deposit date: | 2022-07-20 | Release date: | 2023-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.093 Å) | Cite: | The catalytic role of glutathione transferases in heterologous anthocyanin biosynthesis. Nat Catal, 6, 2023
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5G3J
| Discovery of New Selective Glucocorticoid Receptor Agonist Leads | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ... | Authors: | Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S. | Deposit date: | 2016-04-27 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of New Selective Glucocorticoid Receptor Agonist Leads. Bioorg.Med.Chem.Lett., 27, 2017
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7Z4M
| Plasmodium falciparum pyruvate kinase complexed with Mg2+ and K+ | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | Authors: | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | Deposit date: | 2022-03-04 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity. Structure, 30, 2022
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7Z4R
| Plasmodium falciparum pyruvate kinase mutant - C343A | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Pyruvate kinase | Authors: | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | Deposit date: | 2022-03-04 | Release date: | 2022-08-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity. Structure, 30, 2022
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7Z4N
| Plasmodium falciparum pyruvate kinase complexed with pyruvate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | Deposit date: | 2022-03-04 | Release date: | 2022-08-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity. Structure, 30, 2022
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7Z4Q
| Plasmodium falciparum pyruvate kinase mutant - C49A | Descriptor: | MAGNESIUM ION, Pyruvate kinase | Authors: | Dillenberger, M, Rahlfs, S, Becker, K, Fritz-Wolf, K. | Deposit date: | 2022-03-04 | Release date: | 2022-08-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prominent role of cysteine residues C49 and C343 in regulating Plasmodium falciparum pyruvate kinase activity. Structure, 30, 2022
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7PV5
| RBD domain of D. melanogaster tRNA (uracil-5-)-methyltransferase homolog A (TRMT2A) | Descriptor: | CHLORIDE ION, FI05218p, SODIUM ION, ... | Authors: | Witzenberger, M, Janowski, R, Niessing, D. | Deposit date: | 2021-10-01 | Release date: | 2023-04-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the RNA-recognition motif of Drosophila melanogaster tRNA (uracil-5-)-methyltransferase homolog A Acta Crystallogr.,Sect.F, 80, 2024
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2NB9
| Solution structure of ZitP zinc finger | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Campagne, S, Berge, M, Viollier, P.H, Allain, F.H.-T. | Deposit date: | 2016-02-01 | Release date: | 2016-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Modularity and determinants of a (bi-)polarization control system from free-living and obligate intracellular bacteria. Elife, 5, 2016
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7ZZI
| Plasmodium falciparum hexokinase complexed with glucose and citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphotransferase, ... | Authors: | Fritz-Wolf, K, Dillenberger, M, Rahlfs, S, Becker, K. | Deposit date: | 2022-05-25 | Release date: | 2023-08-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Analysis of Plasmodium falciparum Hexokinase Provides Novel Information about Catalysis Due to a Plasmodium -Specific Insertion. Int J Mol Sci, 24, 2023
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7NTO
| The structure of RRM domain of human TRMT2A at 1.23 A resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
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6C83
| Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | Descriptor: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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8CUG
| Synthetic epi-Novo29 (2R,3S), synchrotron structure | Descriptor: | ACETATE ION, Synthetic epi-Novo29 (2R,3S) | Authors: | Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. | Deposit date: | 2022-05-17 | Release date: | 2023-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29. J.Org.Chem., 88, 2023
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8CUF
| Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure | Descriptor: | ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S) | Authors: | Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. | Deposit date: | 2022-05-17 | Release date: | 2023-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29. J.Org.Chem., 88, 2023
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3EPX
| Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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3EPW
| Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol | Descriptor: | 7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one, CALCIUM ION, IAG-nucleoside hydrolase, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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8A0C
| Capsular polysaccharide synthesis multienzyme in complex with CMP | Descriptor: | Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | Deposit date: | 2022-05-27 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule. Nat.Chem.Biol., 19, 2023
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8A0M
| Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment | Descriptor: | Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | Deposit date: | 2022-05-29 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule. Nat.Chem.Biol., 19, 2023
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1DMJ
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE | Descriptor: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ... | Authors: | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin J.Biol.Chem., 276, 2001
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1DMK
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE | Descriptor: | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ... | Authors: | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin J.Biol.Chem., 276, 2001
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2Y9M
| Pex4p-Pex22p structure | Descriptor: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | Authors: | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | Deposit date: | 2011-02-15 | Release date: | 2011-10-26 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights Into Ubiquitin-Conjugating Enzyme/ Co-Activator Interactions from the Structure of the Pex4P:Pex22P Complex. Embo J., 31, 2011
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2Y9P
| Pex4p-Pex22p mutant II structure | Descriptor: | PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | Authors: | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | Deposit date: | 2011-02-16 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Pex4P-Pex22P Structure To be Published
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5G5W
| Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ... | Authors: | Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T. | Deposit date: | 2016-06-08 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators. Bioorg.Med.Chem.Lett., 26, 2017
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4BWF
| Pex4p-Pex22p disulphide bond mutant | Descriptor: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | Authors: | Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B. | Deposit date: | 2013-07-01 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity Sci.Rep., 3, 2013
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7NTN
| The structure of RRM domain of human TRMT2A at 2 A resolution | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
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8QOY
| Capsular polysaccharide synthesis multienzyme of Actinobacillus Pleuropneumoniae serotype 3 | Descriptor: | SULFATE ION, TagF-like capsule polymerase Cps3D, ZINC ION | Authors: | Di Domenico, V, Litschko, C, Schulze, J, Bethe, A, Cifuente, J.O, Marina, A, Budde, I, Mast, T.A, Sulewska, M, Berger, M, Buettner, F, Gerardy-Schahn, R, Fiebig, T, Guerin, M.E. | Deposit date: | 2023-09-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Transition transferases prime bacterial capsule polymerization. Nat.Chem.Biol., 2024
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