8FIW
 
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221 | | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | | Authors: | Sacco, M, Wang, J, Chen, Y. | | Deposit date: | 2022-12-16 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
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8CII
 | | Delta-RBD complex with BA.2-07 fab, SARS1-34 fab and C1 nanobody | | Descriptor: | BA.2-07 fab Heavy Chain, BA.2-07 fab Light Chain, C1 nanobody, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E. | | Deposit date: | 2023-02-09 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Potent cross-reactive mAbs from BA.4/5 breakthrough infection
To Be Published
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7A40
 | | Nucleotide-free OSM-3 kinesin motor domain | | Descriptor: | GLYCEROL, Osmotic avoidance abnormal protein 3, SULFATE ION | | Authors: | Varela, F.P, Menetrey, J, Gigant, B. | | Deposit date: | 2020-08-19 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Febs Open Bio, 11, 2021
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5YCD
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7A5E
 | | OSM-3 kinesin motor domain complexed with Mg.AMPPNP | | Descriptor: | GLYCEROL, MAGNESIUM ION, Osmotic avoidance abnormal protein 3, ... | | Authors: | Varela, F.P, Menetrey, J, Gigant, B. | | Deposit date: | 2020-08-21 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.
Febs Open Bio, 11, 2021
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4ABB
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8BYH
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2P0W
 | | Human histone acetyltransferase 1 (HAT1) | | Descriptor: | ACETAMIDE, ACETATE ION, ACETYL COENZYME *A, ... | | Authors: | Wu, H, Min, J, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-01 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human histone acetyltransferase 1 (HAT1) in complex with acetylcoenzyme A and histone peptide H4
To be Published
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7WRH
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7W5N
 | | The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH | | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, D, Hou, X.D, Rao, Y.J, Yin, D.J, Zhou, J.W, Chen, J. | | Deposit date: | 2021-11-30 | | Release date: | 2023-03-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.988 Å) | | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
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6ZYN
 | | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b | | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4000138 Å) | | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
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7W5K
 | | The C296A mutant of L-sorbosone dehydrogenase (SNDH) from Gluconobacter Oxydans WSH-004 | | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | | Deposit date: | 2021-11-30 | | Release date: | 2023-03-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
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5YPO
 | | Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide | | Descriptor: | Disks large homolog 4, GLYCEROL, SAPAP | | Authors: | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M. | | Deposit date: | 2017-11-02 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
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8BZV
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7AE2
 | | Crystal structure of HEPN(H107A-Y109F) toxin in complex with MNT antitoxin | | Descriptor: | HEPN toxin, MNT ANTITOXIN | | Authors: | Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V. | | Deposit date: | 2020-09-17 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
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7AE6
 | | Crystal structure of di-AMPylated HEPN(R102A) toxin | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, HEPN toxin | | Authors: | Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V. | | Deposit date: | 2020-09-17 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
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6ZQI
 | | Cryo-EM structure of Spondweni virus prME | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | | Deposit date: | 2020-07-09 | | Release date: | 2021-01-20 | | Last modified: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
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4NCV
 | | Foldon domain wild type N-conjugate | | Descriptor: | Fibritin | | Authors: | Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J. | | Deposit date: | 2013-10-25 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer.
Org.Biomol.Chem., 12, 2014
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8C7Z
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 | | Descriptor: | 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ... | | Authors: | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | | Deposit date: | 2023-01-18 | | Release date: | 2023-02-01 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
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5YQQ
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4DNU
 | | Crystal structure of the W285A mutant of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
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8C7W
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 | | Descriptor: | 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ... | | Authors: | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | | Deposit date: | 2023-01-17 | | Release date: | 2023-02-08 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
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2NZJ
 | | The crystal structure of REM1 in complex with GDP | | Descriptor: | CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-23 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of REM1 in complex with GDP
To be Published
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8BYK
 | | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases.
Front Microbiol, 13, 2022
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2O20
 | | Crystal structure of transcription regulator CcpA of Lactococcus lactis | | Descriptor: | CHLORIDE ION, Catabolite control protein A, SULFATE ION | | Authors: | Loll, B, Kowalczyk, M, Alings, C, Chieduch, A, Bardowski, J, Saenger, W, Biesiadka, J. | | Deposit date: | 2006-11-29 | | Release date: | 2007-03-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the transcription regulator CcpA from Lactococcus lactis
Acta Crystallogr.,Sect.D, 63, 2007
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