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7XD1
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BU of 7xd1 by Molmil
cryo-EM structure of unmodified nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-26
Release date:2022-04-20
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XCR
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BU of 7xcr by Molmil
Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex
Descriptor: DNA (146-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-25
Release date:2022-04-20
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
3RCW
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BU of 3rcw by Molmil
Crystal Structure of the bromodomain of human BRD1
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, ACETATE ION, ...
Authors:Filippakopoulos, P, Keates, T, Picaud, S, Felletar, I, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-03-31
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3T1I
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BU of 3t1i by Molmil
Crystal Structure of Human Mre11: Understanding Tumorigenic Mutations
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Double-strand break repair protein MRE11A, GLYCEROL, ...
Authors:Park, Y.B, Chae, J, Kim, Y, Cho, Y.
Deposit date:2011-07-22
Release date:2011-11-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human mre11: understanding tumorigenic mutations
Structure, 19, 2011
7YL2
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BU of 7yl2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
Descriptor: Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ...
Authors:Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-07-25
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
7Y5K
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BU of 7y5k by Molmil
Crystal structure of human CAF-1 core complex in spacegroup C2221
Descriptor: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ...
Authors:Liu, C.P, Wang, M.Z, Xu, R.M.
Deposit date:2022-06-17
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y5O
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BU of 7y5o by Molmil
Crystal structure of human CAF-1 core complex in spacegroup P21
Descriptor: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ...
Authors:Liu, C.P, Wang, M.Z, Xu, R.M.
Deposit date:2022-06-17
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y5L
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BU of 7y5l by Molmil
Crystal structure of human CAF-1 core complex in spacegroup C2
Descriptor: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ...
Authors:Liu, C.P, Wang, M.Z, Xu, R.M.
Deposit date:2022-06-17
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
3TBL
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BU of 3tbl by Molmil
Structure of Mono-ubiquitinated PCNA: Implications for DNA Polymerase Switching and Okazaki Fragment Maturation
Descriptor: Proliferating cell nuclear antigen, Ubiquitin
Authors:Zhang, Z, Lee, M, Lee, E, Zhang, S.
Deposit date:2011-08-07
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure of monoubiquitinated PCNA: Implications for DNA polymerase switching and Okazaki fragment maturation.
Cell Cycle, 11, 2012
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
3THW
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BU of 3thw by Molmil
Human MutSbeta complexed with an IDL of 4 bases (Loop4) and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA Loop4 hairpin, DNA mismatch repair protein Msh2, ...
Authors:Yang, W.
Deposit date:2011-08-19
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
7Y04
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BU of 7y04 by Molmil
Hsp90-AhR-p23 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
Deposit date:2022-06-03
Release date:2023-01-04
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
3U5K
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BU of 3u5k by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with Midazolam
Descriptor: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-10-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
7WVK
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BU of 7wvk by Molmil
Crystal structure of human WDR5 in complex with compound 19
Descriptor: 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ...
Authors:Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F.
Deposit date:2022-02-10
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.
Acta Pharmacol.Sin., 44, 2023
3TIW
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BU of 3tiw by Molmil
Crystal structure of p97N in complex with the C-terminus of gp78
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase AMFR, Transitional endoplasmic reticulum ATPase
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2011-08-22
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:The Structural and Functional Basis of the p97/Valosin-containing Protein (VCP)-interacting Motif (VIM): MUTUALLY EXCLUSIVE BINDING OF COFACTORS TO THE N-TERMINAL DOMAIN OF p97.
J.Biol.Chem., 286, 2011
3U5J
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BU of 3u5j by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam
Descriptor: 1,2-ETHANEDIOL, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-10-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
3THX
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BU of 3thx by Molmil
Human MutSbeta complexed with an IDL of 3 bases (Loop3) and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA Loop3 minus strand, DNA Loop3 plus strand, ...
Authors:Yang, W.
Deposit date:2011-08-19
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops
Nat.Struct.Mol.Biol., 19, 2012
3U5L
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BU of 3u5l by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a benzo-triazepine ligand (BzT-7)
Descriptor: 1,2-ETHANEDIOL, 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-10-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
3U1N
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BU of 3u1n by Molmil
Structure of the catalytic core of human SAMHD1
Descriptor: PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION
Authors:Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A.
Deposit date:2011-09-30
Release date:2011-11-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
7Z52
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BU of 7z52 by Molmil
Human NEXT dimer - focused reconstruction of the single MTR4
Descriptor: Exosome RNA helicase MTR4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RNA (5'-R(P*UP*UP*UP*UP*U)-3'), ...
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-07
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
3UCC
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BU of 3ucc by Molmil
Asymmetric complex of human neuron specific enolase-1-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-10-26
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJF
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BU of 3ujf by Molmil
Asymmetric complex of human neuron specific enolase-4-PGA/PEP
Descriptor: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-07
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UVN
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BU of 3uvn by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
Descriptor: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
3UO5
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BU of 3uo5 by Molmil
Aurora A in complex with YL1-038-31
Descriptor: 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Serine/Threonine-Protein Kinase 6
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7012 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UOD
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BU of 3uod by Molmil
Aurora A in complex with RPM1693
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ...
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5002 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012

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