8J9B
 
 | | LnaB-actin binary complex | | Descriptor: | Actin gamma 1, Type IV secretion protein Dot | | Authors: | Chen, T.T, Ouyang, S.Y. | | Deposit date: | 2023-05-03 | | Release date: | 2024-05-08 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Legionella maintains host cell ubiquitin homeostasis by effectors with unique catalytic mechanisms.
Nat Commun, 15, 2024
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4F3M
 | | Crystal structure of CRISPR-associated protein | | Descriptor: | 1,2-ETHANEDIOL, BH0337 protein, SULFATE ION | | Authors: | Ke, A, Nam, K.H. | | Deposit date: | 2012-05-09 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Cas5d Protein Processes Pre-crRNA and Assembles into a Cascade-like Interference Complex in Subtype I-C/Dvulg CRISPR-Cas System.
Structure, 20, 2012
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8JUE
 | | Crystal structure of glutaminase C in complex with compound 11 | | Descriptor: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Wang, X, Hanyu, S, Tingting, D. | | Deposit date: | 2023-06-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8JUB
 | | Crystal structure of glutaminase C in complex with compound 27 | | Descriptor: | 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial | | Authors: | Wang, X, Hanyu, S, Tingting, D. | | Deposit date: | 2023-06-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8Z96
 | | Crystal structure of CrtAgo/TIR-APAZ in complex with guide DNA and 21-nt target DNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*AP*T)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, ... | | Authors: | Hu, R, Chen, J, Liu, L. | | Deposit date: | 2024-04-22 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Structural basis of ssDNA-guided NADase activation of prokaryotic SPARTA system.
Nucleic Acids Res., 53, 2025
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8Z92
 | | Crystal structure of CrtAgo/TIR-APAZ in complex with guide DNA and 16-nt target DNA | | Descriptor: | DNA (5'-D(*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*AP*T)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), Piwi domain-containing protein, ... | | Authors: | Hu, R, Chen, J, Liu, L. | | Deposit date: | 2024-04-22 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | Structural basis of ssDNA-guided NADase activation of prokaryotic SPARTA system.
Nucleic Acids Res., 53, 2025
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8Z8Y
 | | Crystal structure of CrtAgo/CrtTIR-APAZ complex | | Descriptor: | MAGNESIUM ION, Piwi domain-containing protein, TIR domain-containing protein | | Authors: | Hu, R, Chen, J, Liu, L. | | Deposit date: | 2024-04-22 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Structural basis of ssDNA-guided NADase activation of prokaryotic SPARTA system.
Nucleic Acids Res., 53, 2025
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4ERN
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5H43
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4Q2M
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4Q2L
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4PZX
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | Descriptor: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A. | | Deposit date: | 2014-03-31 | | Release date: | 2014-05-14 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4PZW
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | Descriptor: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A. | | Deposit date: | 2014-03-31 | | Release date: | 2014-05-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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5YS1
 | | Crystal structure of Multicopper Oxidase CueO G304K mutant | | Descriptor: | Blue copper oxidase CueO, COPPER (II) ION | | Authors: | Wang, H.Q, Liu, X.Q, Zhao, J.T, Yue, Q.X, Yan, Y.H, Dong, Y.H, Fan, Y.L, Tian, J, Wu, N.F, Gong, Y. | | Deposit date: | 2017-11-12 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal structures of multicopper oxidase CueO G304K mutant: structural basis of the increased laccase activity
Sci Rep, 8, 2018
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7VUA
 | | Anaerobic hydroxyproline degradation involving C-N cleavage by a glycyl radical enzyme | | Descriptor: | (4S)-4-hydroxy-D-proline, HplG | | Authors: | Duan, Y, Lu, Q, Yuchi, Z, Zhang, Y. | | Deposit date: | 2021-11-01 | | Release date: | 2022-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Anaerobic Hydroxyproline Degradation Involving C-N Cleavage by a Glycyl Radical Enzyme.
J.Am.Chem.Soc., 144, 2022
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4JPE
 | | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | | Descriptor: | (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A, Smith, D. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
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5YS5
 | | Crystal structure of Multicopper Oxidase CueO G304K mutant with seven copper ions | | Descriptor: | Blue copper oxidase CueO, COPPER (II) ION | | Authors: | Wang, H.Q, Liu, X.Q, Zhao, J.T, Yue, Q.X, Yan, Y.H, Dong, Y.H, Fan, Y.L, Tian, J, Wu, N.F, Gong, Y. | | Deposit date: | 2017-11-13 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of multicopper oxidase CueO G304K mutant: structural basis of the increased laccase activity
Sci Rep, 8, 2018
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8JO4
 | | Cryo-EM structure of a Legionella effector complexed with actin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | | Deposit date: | 2023-06-07 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
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8JO3
 | | Cryo-EM structure of a Legionella effector complexed with actin and AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | | Deposit date: | 2023-06-07 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
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5VSB
 | | Structure of DUB complex | | Descriptor: | 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2017-05-11 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
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5VS6
 | | Structure of DUB complex | | Descriptor: | ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ... | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2017-05-11 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
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6IJA
 | | Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP-L-rhamnose | | Descriptor: | UDP-glycosyltransferase 89C1, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Zong, G, Wang, X. | | Deposit date: | 2018-10-09 | | Release date: | 2019-09-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.214 Å) | | Cite: | Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
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4JG4
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5W5M
 | | Crystal structure of human IgG4-Sigma1 Fc fragment | | Descriptor: | ACETATE ION, GLYCEROL, Immunoglobulin heavy constant gamma 4, ... | | Authors: | Armstrong, A.A, Gilliland, G.L. | | Deposit date: | 2017-06-15 | | Release date: | 2017-09-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality.
Antibodies, 6, 2017
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5IQT
 | | WelO5 bound to Fe(II), Cl, 2-oxoglutarate, and 12-epifischerindole U | | Descriptor: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Mitchell, A.J, Boal, A.K. | | Deposit date: | 2016-03-11 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
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