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3ON9
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BU of 3on9 by Molmil
The SECRET domain from Ectromelia virus
Descriptor: Tumour necrosis factor receptor
Authors:Wang, X.Q, Xue, X.G, Wang, D.L.
Deposit date:2010-08-28
Release date:2011-08-17
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis of chemokine sequestration by CrmD, a poxvirus-encoded tumor necrosis factor receptor
Plos Pathog., 7, 2011
3ONA
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BU of 3ona by Molmil
The SECRET domain in complex with CX3CL1
Descriptor: CX3CL1 protein, Tumour necrosis factor receptor
Authors:Wang, X.Q, Xue, X.G, Wang, D.L.
Deposit date:2010-08-28
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of chemokine sequestration by CrmD, a poxvirus-encoded tumor necrosis factor receptor
Plos Pathog., 7, 2011
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
6GY1
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BU of 6gy1 by Molmil
rat COMT in complex with inhibitor
Descriptor: 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol, Catechol O-methyltransferase, DIMETHYL SULFOXIDE, ...
Authors:Schulze, M.-S.
Deposit date:2018-06-27
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
J. Med. Chem., 61, 2018
5Y14
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BU of 5y14 by Molmil
Crystal structure of LP-40/N44
Descriptor: LP-40, N44
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-07-19
Release date:2017-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
5Z0W
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BU of 5z0w by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N36)
Descriptor: peptide-C, peptide-N
Authors:Liu, Z.X, Qin, B, Cui, S.
Deposit date:2017-12-21
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Mechanism of HIV-1 Resistance to an Electronically Constrained alpha-Helical Peptide Membrane Fusion Inhibitor
J. Virol., 92, 2018
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
Descriptor: 3C-like proteinase
Authors:Yi, Y, Zhang, M, Ye, M.
Deposit date:2021-08-21
Release date:2022-06-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
Descriptor: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
Deposit date:2021-06-16
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
8JMZ
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BU of 8jmz by Molmil
FGFR1 kinase domain with sulfatinib
Descriptor: Fibroblast growth factor receptor 1, GLYCEROL, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2023-06-05
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
8JOT
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BU of 8jot by Molmil
Crystal structure of CSF-1R kinase domain with sulfatinib
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-06-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
Descriptor: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
Authors:Li, K, Kuang, Z.
Deposit date:2019-07-05
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 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
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
6MJZ
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BU of 6mjz by Molmil
Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174
Descriptor: Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain
Authors:Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-09-24
Release date:2018-11-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
Authors:Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-08-07
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 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
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
8HN9
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BU of 8hn9 by Molmil
Human SIRT3 Recognizing CCNE2K348la peptide
Descriptor: CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Wang, Y, Ding, W.
Deposit date:2022-12-07
Release date:2023-05-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth.
Embo Rep., 24, 2023
8HBM
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BU of 8hbm by Molmil
Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA
Descriptor: Bile acid receptor, DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3'), ...
Authors:Jiang, L, Chen, Y.
Deposit date:2022-10-29
Release date:2023-06-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA.
Comput Struct Biotechnol J, 21, 2023
8J54
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BU of 8j54 by Molmil
Crystal structure of RXR/DR2 complex
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2023-04-21
Release date:2024-01-17
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
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
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
Descriptor: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2020-09-25
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7D5O
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BU of 7d5o by Molmil
C-Src in complex with TAS-120
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2020-09-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
4R1F
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BU of 4r1f by Molmil
Re-refined Human DNA topoisomerase IIa (ATPase and transducer domains) in complex with ADP and SO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-alpha, GLYCEROL, ...
Authors:Stanger, F.V, Schirmer, T.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of the N-Terminal Gyrase B Fragment in Complex with ADPPi Reveals Rigid-Body Motion Induced by ATP Hydrolysis
Plos One, 9, 2014

219869

数据于2024-05-15公开中

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