8CRL
| Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | Deposit date: | 2023-03-08 | Release date: | 2023-06-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8CRI
| Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ... | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | Deposit date: | 2023-03-08 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8CRJ
| Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes) | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ... | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | Deposit date: | 2023-03-08 | Release date: | 2023-06-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
7XKX
| Crystal structure of Tpn2 | Descriptor: | SQHop_cyclase_C domain-containing protein | Authors: | Chang, C.Y, Stowell, E.A, Lin, Y.L, Ehrenberger, M.A, Rudolf, J.D. | Deposit date: | 2022-04-20 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure-guided product determination of the bacterial type II diterpene synthase Tpn2. Commun Chem, 5, 2022
|
|
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
|
|
8DBA
| Crystal structure of dodecameric KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2022-06-14 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
|
|
8DB3
| Crystal structure of KaiC with truncated C-terminal coiled-coil domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2022-06-14 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
8FJ5
| Structure of the Haloferax volcanii archaeal type IV pilus | Descriptor: | Pilin_N domain-containing protein | Authors: | Wang, F, Kreutzberger, M.A, Baquero, D.P, Krupovic, M, Egelman, E.H. | Deposit date: | 2022-12-19 | Release date: | 2023-06-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The evolution of archaeal flagellar filaments. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8FK7
| Structure of the Pyrobaculum calidifontis flagellar-like archaeal type IV pilus | Descriptor: | Flagellin | Authors: | Wang, F, Kreutzberger, M.A, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | Deposit date: | 2022-12-20 | Release date: | 2023-06-28 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | The evolution of archaeal flagellar filaments. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5IJB
| The ligand-free structure of the mouse TLR4/MD-2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6QL4
| Crystal structure of nucleotide-free Mgm1 | Descriptor: | 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O. | Deposit date: | 2019-01-31 | Release date: | 2019-07-03 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
|
|
5IJC
| The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5IJD
| The crystal structure of mouse TLR4/MD-2/lipid A complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
8FWJ
| Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2023-01-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
|
|
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
|
|
8FWI
| Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ... | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2023-01-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
|
|
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
|
|