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4O9I
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BU of 4o9i by Molmil
Structure of CHD4 double chromodomains depicts cooperative folding for DNA binding
Descriptor: Chromodomain-helicase-DNA-binding protein 4
Authors:Wiggs, K.R, Chruszcz, M, Su, X, Minor, W, Khorasanizadeh, S.
Deposit date:2014-01-02
Release date:2015-07-08
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of CHD4 double chromodomains depicts cooperative folding for DNA binding
TO BE PUBLISHED
7DHS
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BU of 7dhs by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
Deposit date:2020-11-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
7DBG
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BU of 7dbg by Molmil
Yeast CRM1e (apo) in complex with Ran-RanBP1
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-10-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
7D3Y
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BU of 7d3y by Molmil
Crystal structure of the osPHR2-osSPX2 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1
Authors:Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-21
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
4TO2
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BU of 4to2 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
7EYE
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BU of 7eye by Molmil
Cryo-EM (SPA) structure of Nup155 N-terminus (19-863) at 5.1 Angstrom resolution
Descriptor: G protein/GFP fusion protein,Nuclear pore complex protein Nup155
Authors:Niranjan, S.
Deposit date:2021-05-30
Release date:2022-06-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Cryo-EM (SPA) structure of Nup155 N-terminus (19-863) at 5.2 Angstrom resolution
To Be Published
7EYQ
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BU of 7eyq by Molmil
Cryo-EM (SPA) structure of human Nup155 Longer N-terminus (19-1069) at 5.4 Angstrom resolution
Descriptor: G protein/GFP fusion protein,Nuclear pore complex protein Nup155
Authors:Niranjan, S.
Deposit date:2021-05-31
Release date:2022-06-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Cryo-EM (SPA) structure of human Nup155 Longer N-terminus (19-1069) at 5.4 Angstrom resolution
To Be Published
7FIC
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BU of 7fic by Molmil
Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo
Descriptor: 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A, CHLORIDE ION
Authors:Craven, G.B, Wan, X.B, Taunton, J.
Deposit date:2021-07-31
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Reversible lysine-targeted probes reveal residence time-based kinase selectivity.
Nat.Chem.Biol., 18, 2022
2HKO
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BU of 2hko by Molmil
Crystal structure of LSD1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
Authors:Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
Deposit date:2006-07-05
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
2H0L
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BU of 2h0l by Molmil
Crystal Structure of a Mutant of Rat Annexin A5
Descriptor: Annexin A5, CALCIUM ION
Authors:Langlois D'Estaintot, B, Gallois, B, Granier, T, Tessier, B, Brisson, A.
Deposit date:2006-05-15
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Identification of the Residues Involved in the Formation of Annexin V Trimers within 2D and 3D Crystals
To be Published
7F5S
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BU of 7f5s by Molmil
human delta-METTL18 60S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Takahashi, M, Kashiwagi, K, Ito, T.
Deposit date:2021-06-22
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:METTL18-mediated histidine methylation of RPL3 modulates translation elongation for proteostasis maintenance.
Elife, 11, 2022
2H6Q
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BU of 2h6q by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: Histone H3 K4-Me3 9-residue peptide, WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-06-01
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
7DBH
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BU of 7dbh by Molmil
The mouse nucleosome structure containing H3mm18
Descriptor: DNA (126-MER), Histone H2A type 1-B, Histone H2B type 3-A, ...
Authors:Hirai, S, Takizawa, Y, Kujirai, T, Kurumizaka, H.
Deposit date:2020-10-20
Release date:2022-01-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Unusual nucleosome formation and transcriptome influence by the histone H3mm18 variant.
Nucleic Acids Res., 50, 2022
2H68
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BU of 2h68 by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-30
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
2H6K
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BU of 2h6k by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: Histone H3 K4-Me 9-residue peptide, WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-31
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
7DKM
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BU of 7dkm by Molmil
PHGDH covalently linked to oridonin
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CHLORIDE ION, D-3-phosphoglycerate dehydrogenase, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-11-25
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biophysical and biochemical properties of PHGDH revealed by studies on PHGDH inhibitors.
Cell.Mol.Life Sci., 79, 2021
2H9L
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BU of 2h9l by Molmil
WDR5delta23
Descriptor: SULFATE ION, WD-repeat protein 5
Authors:Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
4RLS
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BU of 4rls by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 47
Descriptor: (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Eigenbrot, C, Ultsch, M.H.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
2KTY
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BU of 2kty by Molmil
Solution Structure of human Vaccinia Related Kinase-1
Descriptor: Serine/threonine-protein kinase VRK1
Authors:Shin, J, Yoon, H.
Deposit date:2010-02-10
Release date:2011-02-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of human Vaccinia-Related Kinase 1
To be Published
4TO1
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BU of 4to1 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
7FB7
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BU of 7fb7 by Molmil
Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ...
Authors:Kori, S, Arita, K, Yoshimi, S.
Deposit date:2021-07-08
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1.
Bioorg.Med.Chem., 52, 2021
4PRJ
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BU of 4prj by Molmil
Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)
Descriptor: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2014-03-05
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
7FJ2
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BU of 7fj2 by Molmil
Structure of FOXM1 homodimer bound to a palindromic DNA site
Descriptor: DNA (5'-D(*AP*CP*CP*GP*TP*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*AP*CP*GP*GP*T)-3'), Forkhead box protein M1
Authors:Dai, S.Y, Li, J, Zhang, H.J.
Deposit date:2021-08-02
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1.
J.Mol.Biol., 434, 2021
7FBR
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BU of 7fbr by Molmil
Solution structure of The first RNA binding domain of Matrin-3
Descriptor: Matrin-3
Authors:Muto, Y, Kobayashi, N, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2021-07-12
Release date:2022-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1 H, 13 C and 15 N resonance assignments and solution structures of the two RRM domains of Matrin-3.
Biomol.Nmr Assign., 16, 2022
4PX9
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BU of 4px9 by Molmil
DEAD-box RNA helicase DDX3X Domain 1 with N-terminal ATP-binding Loop
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X
Authors:Epling, L.B, Grace, C.R, Lowe, B.R, Partridge, J.F, Enemark, E.J.
Deposit date:2014-03-22
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cancer-Associated Mutants of RNA Helicase DDX3X Are Defective in RNA-Stimulated ATP Hydrolysis.
J.Mol.Biol., 427, 2015

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