7UW1
 
 | | A. baumannii 70S ribosome-Streptothricin-D complex | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
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3LGS
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1G8Z
 | | HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER | | Descriptor: | CHOLERA TOXIN B PROTEIN, beta-D-galactopyranose | | Authors: | Aman, A.T, Fraser, S, Merritt, E.A, Rodigherio, C, Kenny, M. | | Deposit date: | 2000-11-21 | | Release date: | 2001-07-25 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity.
Proc.Natl.Acad.Sci.USA, 98, 2001
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3QUK
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4A) | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | | Deposit date: | 2011-02-24 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
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3QUL
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | | Deposit date: | 2011-02-24 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
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6QUN
 | | Crystal structure of AtGapC1 with the catalytic Cys149 irreversibly oxidized by H2O2 treatment | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Fermani, S, Zaffagnini, M, Falini, G, Trost, P. | | Deposit date: | 2019-02-28 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7PIU
 | | Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution. | | Descriptor: | CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
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7PIV
 | | Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution. | | Descriptor: | CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
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5N84
 | | TTK kinase domain in complex with Mps-BAY2b | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ... | | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | | Deposit date: | 2017-02-22 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
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8OZ8
 | | Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ... | | Authors: | Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U. | | Deposit date: | 2023-05-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage?
Acs Catalysis, 13, 2023
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6GZF
 | | Xi Class GST from Natrialba magadii | | Descriptor: | Glutathione S-transferase, SULFATE ION | | Authors: | Di Matteo, A, Federici, L, Masulli, M, Carletti, E, Cassidy, J, Paradisi, F, Di Ilio, C, Allocati, N. | | Deposit date: | 2018-07-04 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.614 Å) | | Cite: | Structural Characterization of the Xi Class Glutathione Transferase From the Haloalkaliphilic ArchaeonNatrialba magadii.
Front Microbiol, 10, 2019
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6TTO
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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6TTM
 | | Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ... | | Authors: | Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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6TTN
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | | Descriptor: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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6YS5
 | | Acinetobacter baumannii ribosome-amikacin complex - 30S subunit head | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | | Deposit date: | 2020-04-21 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
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6YTF
 | | Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | | Deposit date: | 2020-04-24 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
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3B2R
 | | Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil | | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K. | | Deposit date: | 2007-10-19 | | Release date: | 2008-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
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8K8V
 | | CryoEM structure of LonC protease hepatmer, apo state | | Descriptor: | PHOSPHATE ION, endopeptidase La | | Authors: | Li, M, Hsieh, K, Liu, H, Zhang, S, Gao, Y, Gong, Q, Zhang, K, Chang, C, Li, S. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Bifurcated assembly pathway and dual function of a Lon-like protease revealed by cryo-EM Analysis
Fundam Res, 2024
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8K91
 | | CryoEM structure of LonC S582A hepatmer with Lysozyme | | Descriptor: | Endopeptidase La, Monothiophosphate | | Authors: | Li, M, Hsieh, K, Liu, H, Zhang, S, Gao, Y, Gong, Q, Zhang, K, Chang, C, Li, S. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Bifurcated assembly pathway and dual function of a Lon-like protease revealed by cryo-EM Analysis
Fundam Res, 2024
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8K96
 | | CryoEM structure of LonC protease hepatmer with Bortezomib | | Descriptor: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, PHOSPHATE ION, endopeptidase La | | Authors: | Li, M, Hsieh, K, Liu, H, Zhang, S, Gao, Y, Gong, Q, Zhang, K, Chang, C, Li, S. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Bifurcated assembly pathway and dual function of a Lon-like protease revealed by cryo-EM Analysis
Fundam Res, 2024
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8TDM
 | | Cryo-EM structure of AtMSL10-K539E | | Descriptor: | Mechanosensitive ion channel protein 10 | | Authors: | Zhang, J, Yuan, P. | | Deposit date: | 2023-07-03 | | Release date: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10.
Nat Commun, 14, 2023
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8TDK
 | | Cryo-EM structure of AtMSL10-G556V | | Descriptor: | Mechanosensitive ion channel protein 10 | | Authors: | Zhang, J, Yuan, P. | | Deposit date: | 2023-07-03 | | Release date: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10.
Nat Commun, 14, 2023
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8CDQ
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2023-01-31 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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8A12
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2022-05-31 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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7Z3U
 | | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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