7XYO
 
 | | Crystal Structure of a M61 aminopeptidase family member from Myxococcus fulvus | | Descriptor: | Aminopeptidase M61, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ... | | Authors: | Chen, X, Wang, X, Huo, L, Wu, D. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Characterization of a Myxobacterial Lanthipeptide with Unique Biosynthetic Features and Anti-inflammatory Activity.
J.Am.Chem.Soc., 145, 2023
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6BVH
 | | Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14) | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Riley, B.T, Chen, X. | | Deposit date: | 2017-12-13 | | Release date: | 2018-12-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.927 Å) | | Cite: | Potent, multi-target serine protease inhibition achieved by a simplified beta-sheet motif.
PLoS ONE, 14, 2019
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6DUP
 | | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | | Descriptor: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Chen, X, Zhang, Y, Mclean, L.R. | | Deposit date: | 2018-06-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.
Bioorg. Med. Chem. Lett., 28, 2018
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8ZVX
 | | Crystal structure of snFPITE-n2 | | Descriptor: | GLYCEROL, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Chen, X, Yang, H. | | Deposit date: | 2024-06-12 | | Release date: | 2025-04-02 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A facultative plasminogen-independent thrombolytic enzyme from Sipunculus nudus.
Nat Commun, 16, 2025
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8ZVS
 | | Crystal structure of snFPITE-n1 | | Descriptor: | SULFATE ION, phenylmethanesulfonic acid, snFPITE-n1 | | Authors: | Chen, X, Yang, H, Hu, Y.L. | | Deposit date: | 2024-06-12 | | Release date: | 2025-04-02 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.987 Å) | | Cite: | A facultative plasminogen-independent thrombolytic enzyme from Sipunculus nudus.
Nat Commun, 16, 2025
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7X9E
 | | Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide | | Descriptor: | 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide | | Authors: | Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B. | | Deposit date: | 2022-03-15 | | Release date: | 2022-05-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
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6JPE
 | | Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1 | | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide, SULFATE ION | | Authors: | Chen, X, Dai, S, Zhou, Z, Chen, Y. | | Deposit date: | 2019-03-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma.
J.Med.Chem., 63, 2020
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5MHT
 | | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH HEMIMETHYLATED DNA AND ADOHCY | | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (HHAI METHYLTRANSFERASE), ... | | Authors: | Cheng, X. | | Deposit date: | 1996-10-22 | | Release date: | 1997-07-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A structural basis for the preferential binding of hemimethylated DNA by HhaI DNA methyltransferase.
J.Mol.Biol., 263, 1996
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6KUZ
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01 | | Descriptor: | 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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7CK9
 | | Crystal structure of Doxorubicin loaded human ferritin heavy chain | | Descriptor: | CHLORIDE ION, Ferritin heavy chain, GLYCEROL, ... | | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
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7CK8
 | | Crystal structure of human ferritin heavy chain mutant C90S/C102S/C130S | | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ... | | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
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7XUP
 | | Crystal structure of TPe3.0 | | Descriptor: | Transcriptional regulator, PadR-like family | | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | | Deposit date: | 2022-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
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7XUQ
 | | Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole | | Descriptor: | Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | | Authors: | Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z. | | Deposit date: | 2022-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
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6IHI
 | | Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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7F4G
 | | Structure of RPAP2-bound RNA polymerase II | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-06-18 | | Release date: | 2021-07-07 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex.
Cell Rep, 39, 2022
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8GS5
 | | Crystal structure of a constitutively active mutant of human IDH3 holoenzyme in apo form | | Descriptor: | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit gamma, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-04 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4.486 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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8GRH
 | | Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3 in complex with CIT | | Descriptor: | CITRIC ACID, Human IDH3 alpha subunit, Isocitrate dehydrogenase [NAD] subunit gamma, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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8GRU
 | | Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ICT, NAD and Ca | | Descriptor: | CALCIUM ION, Human IDH3 alpha subunit, ISOCITRIC ACID, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-02 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.847 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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8GRG
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8GRB
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8HHX
 | | SARS-CoV-2 Delta Spike in complex with FP-12A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, ... | | Authors: | Chen, X, Wu, Y.-M. | | Deposit date: | 2022-11-17 | | Release date: | 2023-02-01 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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8HHZ
 | | SARS-CoV-2 Omicron BA.1 Spike in complex with IY-2A | | Descriptor: | IY-2A Fab heavy chain, IY-2A Fab light chain, Spike glycoprotein | | Authors: | Chen, X, Mohapatra, A, Wu, Y.-M. | | Deposit date: | 2022-11-17 | | Release date: | 2023-02-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.28 Å) | | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
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8ZF1
 | | Crystal structure of a Chemo Triplet Photoenzyme (CTPe) | | Descriptor: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide, Transcriptional regulator, PadR-like family | | Authors: | Chen, X, Qian, J.Y, Guo, J, Wu, Y.Z, Zhong, F.R. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells.
J.Am.Chem.Soc., 146, 2024
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7XMN
 | | Structure of SARS-CoV-2 ORF8 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | | Authors: | Chen, X, Xu, W. | | Deposit date: | 2022-04-26 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
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