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3T6R
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BU of 3t6r by Molmil
Structure of UHRF1 in complex with unmodified H3 N-terminal tail
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3.1t N-terminal peptide, MAGNESIUM ION, ...
Authors:Xie, S, Jakoncic, J, Qian, C.M.
Deposit date:2011-07-29
Release date:2011-11-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail
J.Mol.Biol., 415, 2012
4XHU
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BU of 4xhu by Molmil
The complex structure of Timeless_PAB and PARP-1_catalytic domain
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Xie, S, Qian, C.
Deposit date:2015-01-06
Release date:2015-09-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Timeless Interacts with PARP-1 to Promote Homologous Recombination Repair.
Mol.Cell, 60, 2015
4XHT
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BU of 4xht by Molmil
Crystal structure of Timeless_PAB domain native form
Descriptor: Protein timeless homolog
Authors:Xie, S, Qian, C.
Deposit date:2015-01-06
Release date:2015-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Timeless Interacts with PARP-1 to Promote Homologous Recombination Repair.
Mol.Cell, 60, 2015
4XHW
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BU of 4xhw by Molmil
Crystal structure of Timeless_PAB domain in SeMet-labelled form
Descriptor: Protein timeless homolog
Authors:Xie, S, Qian, C.
Deposit date:2015-01-06
Release date:2015-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Timeless Interacts with PARP-1 to Promote Homologous Recombination Repair.
Mol.Cell, 60, 2015
4MQV
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BU of 4mqv by Molmil
Crystal complex of Rpa32c and Smarcal1 N-terminus
Descriptor: Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1
Authors:Xie, S, Qian, C.M.
Deposit date:2013-09-16
Release date:2014-07-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins
Febs J., 281, 2014
4ZDT
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BU of 4zdt by Molmil
Crystal structure of the RING finger domain of Slx1 in complex with the C-terminal domain of Slx4
Descriptor: GLYCEROL, SULFATE ION, Structure-specific endonuclease subunit slx1, ...
Authors:Lian, F.M, Xie, S, Qian, C.M.
Deposit date:2015-04-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and SUMO binding of Slx1-Slx4 complex
Sci Rep, 6, 2016
9NPJ
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BU of 9npj by Molmil
Structural studies of reaction hijacking inhibition of a malaria parasite aspartyl-tRNA synthetase.
Descriptor: 9-(5-O-{[(1R,2R)-2-amino-3-carboxy-1-hydroxypropyl]sulfamoyl}-beta-D-lyxofuranosyl)-2-chloro-9H-purin-6-amine, GLYCEROL, aspartate--tRNA ligase
Authors:Khandokar, Y, Ketprasit, K, Tai, C.W, Xie, S, Tilley, L, Griffin, M.D.W, Panjikar, S.
Deposit date:2025-03-11
Release date:2025-06-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural studies of reaction hijacking inhibition of a malaria parasite aspartyl-tRNA synthetase.
To Be Published
6JXR
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BU of 6jxr by Molmil
Structure of human T cell receptor-CD3 complex
Descriptor: T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ...
Authors:Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z.
Deposit date:2019-04-24
Release date:2019-09-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of assembly of the human T cell receptor-CD3 complex.
Nature, 573, 2019
4GXO
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BU of 4gxo by Molmil
Crystal structure of Staphylococcus aureus protein SarZ mutant C13E
Descriptor: GLYCEROL, MarR family regulatory protein
Authors:Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C.
Deposit date:2012-09-04
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
5TBM
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BU of 5tbm by Molmil
Crystal structure of PT2385 bound to HIF2a-B*:ARNT-B* complex
Descriptor: 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Du, X.
Deposit date:2016-09-12
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Small-Molecule Antagonist of HIF2 alpha Is Efficacious in Preclinical Models of Renal Cell Carcinoma.
Cancer Res., 76, 2016
9LO7
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BU of 9lo7 by Molmil
The crystal structure of PDE4D with 2317b
Descriptor: 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ZINC ION, ...
Authors:Huag, Y.-Y, Wu, D, Luo, H.-B.
Deposit date:2025-01-22
Release date:2025-03-26
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.20006251 Å)
Cite:Structure-Based Optimization of Moracin M as Potent and Selective PDE4 Inhibitors with Antipsoriasis Effects.
J.Med.Chem., 68, 2025
8T1R
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BU of 8t1r by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 2
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
8T1Q
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BU of 8t1q by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 1
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
5WYM
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BU of 5wym by Molmil
Crystal structure of an anti-connexin26 scFv
Descriptor: anti-connexin26 scFv,Ig heavy chain,Linker,anti-connexin26 scFv,Ig light chain
Authors:Li, S, Xu, L.
Deposit date:2017-01-13
Release date:2018-01-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design and Characterization of a Human Monoclonal Antibody that Modulates Mutant Connexin 26 Hemichannels Implicated in Deafness and Skin Disorders
Front Mol Neurosci, 10, 2017
8ZQU
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BU of 8zqu by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 2-6
Descriptor: (3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1-benzofuran-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-06-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.00004554 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8ZQW
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BU of 8zqw by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 2-9
Descriptor: (3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1~{H}-indol-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-06-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.100019 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8ZQ2
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BU of 8zq2 by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 2-1
Descriptor: (3~{Z})-3-[(3-ethoxy-4-methoxy-phenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-05-31
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.10001445 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8ZQ1
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BU of 8zq1 by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 1-12
Descriptor: (3~{E})-3-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-05-31
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.200001 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8JKZ
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BU of 8jkz by Molmil
Cryo-EM structure of the prokaryotic SPARSA system complex
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain protein, Sir2 superfamily protein
Authors:Xu, X, Zhen, X, Long, F.
Deposit date:2023-06-02
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of antiphage immunity generated by a prokaryotic Argonaute-associated SPARSA system.
Nat Commun, 15, 2024
8JL0
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BU of 8jl0 by Molmil
Cryo-EM structure of the prokaryotic SPARSA system complex
Descriptor: DNA (5'-D(P*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*T)-3'), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain protein, ...
Authors:Xu, X, Zhen, X, Long, F.
Deposit date:2023-06-02
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of antiphage immunity generated by a prokaryotic Argonaute-associated SPARSA system.
Nat Commun, 15, 2024
5Z65
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BU of 5z65 by Molmil
Crystal structure of porcine aminopeptidase N ectodomain in functional form
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, ...
Authors:Sun, Y.G, Li, R, Jiang, L.G, Qiao, S.L, Zhang, G.P.
Deposit date:2018-01-22
Release date:2019-01-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Characterization of the interaction between recombinant porcine aminopeptidase N and spike glycoprotein of porcine epidemic diarrhea virus.
Int. J. Biol. Macromol., 117, 2018
8K9D
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BU of 8k9d by Molmil
Structure of human Caprin-2 HR1 domain
Descriptor: Caprin-2
Authors:Song, X.M.
Deposit date:2023-07-31
Release date:2024-08-21
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insights into the Caprin-2 HR1 domain in canonical Wnt signaling.
J.Biol.Chem., 300, 2024
2M6X
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BU of 2m6x by Molmil
Structure of the p7 channel of Hepatitis C virus, genotype 5a
Descriptor: p7
Authors:OuYang, B, Chou, J.J.
Deposit date:2013-04-12
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Unusual architecture of the p7 channel from hepatitis C virus
Nature, 498, 2013
5GJK
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BU of 5gjk by Molmil
Crystal Structure of BAF47 and BAF155 Complex
Descriptor: GLYCEROL, PHOSPHATE ION, SWI/SNF complex subunit SMARCC1, ...
Authors:Yan, L, Qian, C.
Deposit date:2016-06-30
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Structural Insights into BAF47 and BAF155 Complex Formation.
J. Mol. Biol., 429, 2017
5YDR
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BU of 5ydr by Molmil
Structure of DNMT1 RFTS domain in complex with ubiquitin
Descriptor: DNA (cytosine-5)-methyltransferase 1, PHOSPHATE ION, Polyubiquitin-B, ...
Authors:Qian, C.
Deposit date:2017-09-14
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural and mechanistic insights into UHRF1-mediated DNMT1 activation in the maintenance DNA methylation.
Nucleic Acids Res., 46, 2018

 

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