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7CM1
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BU of 7cm1 by Molmil
Neuraminidase from the Wuhan Asiatic toad influenza virus
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Wang, J.
Deposit date:2020-07-23
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Lattice-translocation defects in specific crystals of the catalytic head domain of influenza neuraminidase.
Acta Crystallogr D Struct Biol, 76, 2020
7D42
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BU of 7d42 by Molmil
Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor
Descriptor: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, Tropifexor
Authors:Jiang, L, Chen, Y.
Deposit date:2020-09-22
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor.
Biochem.Biophys.Res.Commun., 534, 2021
7EEI
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BU of 7eei by Molmil
Structure of Rift Valley fever virus RNA-dependent RNA polymerase
Descriptor: Replicase
Authors:Wang, X, Hu, C.X.
Deposit date:2021-03-18
Release date:2021-11-17
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of Rift Valley Fever Virus RNA-Dependent RNA Polymerase.
J.Virol., 96, 2022
7WCL
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BU of 7wcl by Molmil
Crystal structure of FGFR1 kinase domain with Pemigatinib
Descriptor: 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-12-20
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
7X4W
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BU of 7x4w by Molmil
Crystal structure of Keap1 BTB domain in complex with dimethyl fumarate (DMF)
Descriptor: Dimethyl fumarate, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7X4X
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BU of 7x4x by Molmil
BTB domain of KEAP1 in complex with MEF
Descriptor: 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7XV8
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BU of 7xv8 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain Homodimer Bound to DR1 Response Element
Descriptor: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), Nuclear receptor subfamily 2 group C member 2, ...
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XVA
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BU of 7xva by Molmil
Crystal structure of the Human TR4 Ligand Binding Domain in complex with the JAZF1 corepressor fragment
Descriptor: Juxtaposed with another zinc finger protein 1, Nuclear receptor subfamily 2 group C member 2
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.856 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XV9
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BU of 7xv9 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain
Descriptor: Nuclear receptor subfamily 2 group C member 2, ZINC ION
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XV6
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BU of 7xv6 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain with C-terminal extension (DBD-CTE) Homodimer Bound to DR1 Response Element
Descriptor: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), NR2C2 protein, ...
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XVN
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BU of 7xvn by Molmil
Structural basis for DNA recognition feature of retinoid-related orphan receptors
Descriptor: DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2022-05-24
Release date:2023-11-29
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
6JPJ
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BU of 6jpj by Molmil
Crystal structure of FGF401 in complex of FGFR4
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Zhou, Z, Chen, X, Chen, Y.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4.
Chem.Commun.(Camb.), 55, 2019
6L9K
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BU of 6l9k by Molmil
H2-Ld a1a2 complexed with A5 peptide
Descriptor: H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE
Authors:Wei, P.C, Yin, L.
Deposit date:2019-11-10
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021
6L6L
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BU of 6l6l by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
Descriptor: DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ...
Authors:Jiang, L, Chen, Y.
Deposit date:2019-10-29
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
6L9N
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BU of 6l9n by Molmil
H2-Ld complexed with A5 peptide
Descriptor: MHC, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE, b2m
Authors:Wei, P.C, Yin, L.
Deposit date:2019-11-10
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021
6L9L
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BU of 6l9l by Molmil
1D4 TCR recognition of H2-Ld a1a2 A5 Peptide Complexes
Descriptor: H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE, T Cell Receptor
Authors:Wei, P.C, Yin, L.
Deposit date:2019-11-10
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021
6L9M
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BU of 6l9m by Molmil
H2-Ld complexed with AH1 peptide
Descriptor: H2-Ld, SER-PRO-SER-TYR-VAL-TYR-HIS-GLN-PHE, b2m
Authors:Wei, P.C, Yin, L.
Deposit date:2019-11-10
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021
6L6Q
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BU of 6l6q by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
Descriptor: DNA (5'-D(P*AP*GP*TP*GP*AP*CP*CP*TP*TP*TP*AP*AP*AP*GP*GP*TP*CP*AP*CP*T)-3'), Nuclear receptor related 1, ZINC ION
Authors:Jiang, L, Chen, Y.
Deposit date:2019-10-29
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
6LC1
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BU of 6lc1 by Molmil
Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter
Descriptor: DNA, DNA (25-MER), Nuclear receptor subfamily 4 group A member 1, ...
Authors:Jiang, L, Chen, Y.
Deposit date:2019-11-16
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter.
Biochem.Biophys.Res.Commun., 523, 2020
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
Descriptor: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
Authors:Wei, H, Chen, Y.
Deposit date:2019-12-07
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
4YK9
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BU of 4yk9 by Molmil
Complex structure of BCL-XL and mutated BIM BH3 domain
Descriptor: ACETATE ION, BH3BIM, Bcl-2-like protein 1, ...
Authors:Ha, N.C, Kim, J.S.
Deposit date:2015-03-04
Release date:2016-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complex structure of BCL-XL and mutated BIM BH3 domain
To be published
5XP5
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BU of 5xp5 by Molmil
C-Src in complex with ATP-Chf
Descriptor: MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
Authors:Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y.
Deposit date:2017-06-01
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
5XP7
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BU of 5xp7 by Molmil
C-Src in complex with ATP-CHCl
Descriptor: GLYCEROL, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Guo, M, Dai, S, Duan, Y, Chen, L, Chen, Y.
Deposit date:2017-06-01
Release date:2017-09-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases.
J. Am. Chem. Soc., 139, 2017
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: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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