6U19
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2N3V
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2N3T
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2N3W
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2N3U
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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: | 2019-01-30 | 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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7JKS
| Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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7JKT
| Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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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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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: | 2023-11-22 | 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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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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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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8GRG
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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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8GRB
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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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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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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 | 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
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7F5F
| SARS-CoV-2 ORF8 S84 | Descriptor: | CALCIUM ION, ORF8 protein | Authors: | Chen, S, Zhou, Z, Chen, X. | Deposit date: | 2021-06-22 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses. Front Immunol, 12, 2021
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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: | 2023-11-29 | 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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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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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: | 2022-07-20 | 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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