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4TTQ
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BU of 4ttq by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dephospho-CoA kinase, PHOSPHATE ION
Authors:Chen, X, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
9KAY
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BU of 9kay by Molmil
Bioengineered protein nanocarrier facilitating siRNA escape from lysosomes for targeted RNAi therapy in glioblastoma
Descriptor: Ferritin heavy chain, N-terminally processed
Authors:Chen, X, Fan, K.
Deposit date:2024-10-30
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (1.73 Å)
Cite:Bioengineered protein nanocarrier facilitating siRNA escape from lysosomes for targeted RNAi therapy in glioblastoma.
Sci Adv, 11, 2025
5W77
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BU of 5w77 by Molmil
Solution structure of the MYC G-quadruplex bound to small molecule DC-34
Descriptor: 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION
Authors:Chen, X, Walters, K.J.
Deposit date:2017-06-19
Release date:2018-10-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.
Nat Commun, 9, 2018
7JKS
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BU of 7jks by Molmil
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:2024-10-30
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
7JKT
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BU of 7jkt by Molmil
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:2024-11-20
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
3CBM
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BU of 3cbm by Molmil
SET7/9-ER-AdoMet complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
8S6I
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BU of 8s6i by Molmil
Crystal structure of the human CDKL2 kinase domain with Compound 9
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase-like 2, ...
Authors:Chen, X, Ni, X, Brooke, L, Bullock, A.N.
Deposit date:2024-02-27
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Characterization of a Chemical Probe for Cyclin-Dependent Kinase-Like 2.
Acs Med.Chem.Lett., 15, 2024
8ZVX
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BU of 8zvx by Molmil
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
8ZVS
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BU of 8zvs by Molmil
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
2N3T
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BU of 2n3t by Molmil
Solution structure of the Rpn1 substrate receptor site toroid 1 (T1)
Descriptor: 26S proteasome regulatory subunit RPN1
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3W
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BU of 2n3w by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the contracted binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3U
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BU of 2n3u by Molmil
Solution structure of the Rpn1 T1 site engaging two monoubiquitin molecules
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3V
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BU of 2n3v by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the extended binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
7F5F
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BU of 7f5f by Molmil
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:2024-10-30
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
7X9E
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BU of 7x9e by Molmil
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
6JPE
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BU of 6jpe by Molmil
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
7CK9
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BU of 7ck9 by Molmil
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
7CK8
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BU of 7ck8 by Molmil
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
8KFD
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BU of 8kfd by Molmil
Ferritin drug carrier(FDC) for encapsulated platinum (IV) prodrug for esophageal squamous cell carcinoma targeted therapy
Descriptor: CALCIUM ION, CHLORIDE ION, Ferritin heavy chain, ...
Authors:Chen, X.
Deposit date:2023-08-15
Release date:2024-05-29
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of Ferritin-Platinum Prodrugs for Targeted Therapy of Esophageal Squamous Cell Carcinoma.
Acs Nano, 18, 2024
8KFO
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BU of 8kfo by Molmil
Crystal structure of BSA in complex with B3
Descriptor: 6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine, Albumin
Authors:Chen, X, Ge, Y.H, Yang, H, Fang, B, Li, L.
Deposit date:2023-08-16
Release date:2024-08-21
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Albumins constrainting the conformation of mitochondria-targeted photosensitizers for tumor-specific photodynamic therapy.
Biomaterials, 315, 2025
6BVH
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BU of 6bvh by Molmil
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
7F4G
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BU of 7f4g by Molmil
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
8ZF1
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BU of 8zf1 by Molmil
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
6KUZ
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BU of 6kuz by Molmil
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
6L6H
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BU of 6l6h by Molmil
Crystal structure of Lpg0189
Descriptor: ACETATE ION, GLYCEROL, Uncharacterized protein Lpg0189
Authors:Ge, H, Chen, X.
Deposit date:2019-10-29
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020

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