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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1OMQ
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5D21
 | | Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA | | Descriptor: | CALCIUM ION, LecA, phenyl beta-D-galactopyranoside | | Authors: | Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2015-08-05 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
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1KTV
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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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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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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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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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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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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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4AE5
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4ACM
 | | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4AZY
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10) | | Descriptor: | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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4B00
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | | Descriptor: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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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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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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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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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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1MI6
 | | Docking of the modified RF2 X-ray structure into the Low Resolution Cryo-EM map of RF2 E.coli 70S Ribosome | | Descriptor: | peptide chain release factor RF-2 | | Authors: | Rawat, U.B.S, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J. | | Deposit date: | 2002-08-22 | | Release date: | 2003-01-14 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (12.8 Å) | | Cite: | A cryo-electron microscopic study of ribosome-bound termination factor RF2
Nature, 421, 2003
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