7X3L
 
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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7W5S
 | | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
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7W5V
 | | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
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8K31
 | | The complex of WRKY33 C terminal DBD and SIB1 | | Descriptor: | Probable WRKY transcription factor 33, Sigma factor binding protein 1, chloroplastic, ... | | Authors: | Dong, X, Gong, Z, Hu, Y.F. | | Deposit date: | 2023-07-14 | | Release date: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the regulation of plant transcription factor WRKY33 by the VQ protein SIB1.
Commun Biol, 7, 2024
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5YKR
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5YKT
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7DTL
 | | Crystal structure of PSK, an antimicrobial peptide from Chrysomya megacephala | | Descriptor: | PSK | | Authors: | Xiao, C, Xiao, Z, Wang, S, Liu, W. | | Deposit date: | 2021-01-05 | | Release date: | 2021-07-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal and solution structures of a novel antimicrobial peptide from Chrysomya megacephala.
Acta Crystallogr D Struct Biol, 77, 2021
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7DVP
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp4/5 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW0
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp14/15 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW6
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp15/16 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVY
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVW
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7EAX
 | | Crystal complex of p53-V272M and antimony ion | | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | | Authors: | Lu, M, Tang, Y. | | Deposit date: | 2021-03-08 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
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7E5X
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8JWY
 | | Crystal structure of A2AR-T4L in complex with 2-118 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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8JWZ
 | | Crystal structure of A2AR-T4L in complex with AB928 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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7F0H
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7JU8
 | | X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | | Authors: | Farrow, N.A. | | Deposit date: | 2020-08-19 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
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6O76
 | | Human cytosolic Histidyl-tRNA synthetase (HisRS) with WHEP domain | | Descriptor: | CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic | | Authors: | Kuhle, B, Yang, X.L. | | Deposit date: | 2019-03-07 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.787 Å) | | Cite: | CMT disease severity correlates with mutation-induced open conformation of histidyl-tRNA synthetase, not aminoacylation loss, in patient cells.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7WH8
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7WHB
 | | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Zeng, J.W, Ge, J.W, Wang, X.Q. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
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7VAH
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7WHD
 | | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-18 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
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