7D50
 
 | | SpuA mutant - H221N with glutamyl-thioester | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7DDC
 | | Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine | | Descriptor: | 3C-like proteinase, Tafenoquine | | Authors: | Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C. | | Deposit date: | 2020-10-28 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.175 Å) | | Cite: | Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
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8JBA
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6UTF
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8J54
 | | Crystal structure of RXR/DR2 complex | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ... | | Authors: | Chen, Y, Jiang, L. | | Deposit date: | 2023-04-21 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
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8CZZ
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074 | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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7X4C
 | | Native CD-NTase EfCdnE | | Descriptor: | EfCdnE, L(+)-TARTARIC ACID | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4P
 | | CD-NTase EfCdnE in complex with intermediate pppUpU | | Descriptor: | EfCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4A
 | | Native CD-NTase ClCdnE | | Descriptor: | ClCdnE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4F
 | | Native CD-NTase LpCdnE | | Descriptor: | Cyclic dipyrimidine nucleotide synthase, SULFATE ION | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4Q
 | | LpCdnE UTP Mg complex | | Descriptor: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4G
 | | CD-NTase ClCdnE in complex with substrate UTP | | Descriptor: | ClCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4T
 | | LpCdnE UMPNPP Mg complex | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, Cyclic dipyrimidine nucleotide synthase, GLYCEROL, ... | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7XVN
 | | Structural basis for DNA recognition feature of retinoid-related orphan receptors | | Descriptor: | DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ... | | Authors: | Chen, Y, Jiang, L. | | Deposit date: | 2022-05-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
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6UEC
 | | Pseudomonas aeruginosa LpxD Complex Structure with Ligand | | Descriptor: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6UEE
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | Descriptor: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6UED
 | | Apo Pseudomonas aeruginosa LpxD Structure | | Descriptor: | GLYCEROL, MAGNESIUM ION, UDP-3-O-acylglucosamine N-acyltransferase | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6YQ7
 | | Taka-amylase | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQC
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQ9
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQB
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol cyclosulfate inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQA
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor | | Descriptor: | (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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7NAB
 | | Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165 | | Descriptor: | CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ... | | Authors: | Chen, Y, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2021-06-21 | | Release date: | 2021-12-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern.
Cell Rep, 38, 2022
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7VUN
 | | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
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8DOK
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | | Deposit date: | 2022-07-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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