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7K7G
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BU of 7k7g by Molmil
nucleosome and Gal4 complex
Descriptor: Centromere DNA-binding protein complex CBF3 subunit B, DNA (147-MER), Histone H2A.1, ...
Authors:Ruifang, G, Yawen, B.
Deposit date:2020-09-22
Release date:2021-03-31
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation.
Nat Commun, 12, 2021
5MTX
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BU of 5mtx by Molmil
Dibenzooxepinone inhibitor 12b in complex with p38 MAPK
Descriptor: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-01-11
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
5B31
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BU of 5b31 by Molmil
The crystal structure of the heterotypic H2AZ/H2A nucleosome with H3.1.
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Horikoshi, N, Taguchi, H, Arimura, Y, Kurumizaka, H.
Deposit date:2016-02-08
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of heterotypic nucleosomes containing histones H2A.Z and H2A.
Open Biology, 6, 2016
5MTY
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BU of 5mty by Molmil
Dibenzosuberone inhibitor 8e in complex with p38 MAPK
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-01-11
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
7DTO
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BU of 7dto by Molmil
Human Annexin A2 with C132-C261 intramolecular disulfide bond
Descriptor: Annexin A2
Authors:He, L.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Annexin A2 with C132-C261 intramolecular disulfide bond
To Be Published
5OAF
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BU of 5oaf by Molmil
Human Rvb1/Rvb2 heterohexamer in INO80 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
Authors:Aramayo, R.J, Bythell-Douglas, R, Ayala, R, Willhoft, O, Wigley, D, Zhang, X.
Deposit date:2017-06-21
Release date:2017-12-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Cryo-EM structures of the human INO80 chromatin-remodeling complex.
Nat. Struct. Mol. Biol., 25, 2018
5B32
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BU of 5b32 by Molmil
The crystal structure of the heterotypic H2AZ/H2A nucleosome with H3.3.
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Horikoshi, N, Taguchi, H, Arimura, Y, Kurumizaka, H.
Deposit date:2016-02-08
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of heterotypic nucleosomes containing histones H2A.Z and H2A.
Open Biology, 6, 2016
8IHN
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BU of 8ihn by Molmil
Cryo-EM structure of the Rpd3S core complex
Descriptor: CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ...
Authors:Zhang, Y, Gang, C.
Deposit date:2023-02-23
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
7QQL
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BU of 7qql by Molmil
The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1
Descriptor: CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
6TDA
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BU of 6tda by Molmil
Structure of SWI/SNF chromatin remodeler RSC bound to a nucleosome
Descriptor: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC58, ...
Authors:Wagner, F.R, Dienemann, C, Wang, H, Stuetzer, A, Tegunov, D, Urlaub, H, Cramer, P.
Deposit date:2019-11-08
Release date:2020-03-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Structure of SWI/SNF chromatin remodeller RSC bound to a nucleosome.
Nature, 579, 2020
7E9F
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BU of 7e9f by Molmil
Cryo-EM structure of the 2:1 Orc1 BAH domain in complex with nucleosome
Descriptor: DNA (147-mer), Histone H2A.2, Histone H2B.2, ...
Authors:Jiang, H, Yu, C, Liu, C.P, Han, X, Yu, Z, Xu, R.M.
Deposit date:2021-03-04
Release date:2022-09-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Nucleosome binding relinquishes the association of the BAH domain of Orc1 with Sir1
To Be Published
7E9C
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BU of 7e9c by Molmil
Cryo-EM structure of the 1:1 Orc1 BAH domain in complex with nucleosome
Descriptor: DNA (147-mer), Histone H2A.2, Histone H2B.2, ...
Authors:Jiang, H, Yu, C, Liu, C.P, Han, X, Yu, Z, Xu, R.M.
Deposit date:2021-03-04
Release date:2022-09-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Nucleosome binding relinquishes the association of the BAH domain of Orc1 with Sir1
To Be Published
4W9C
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BU of 4w9c by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9D
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BU of 4w9d by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9H
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BU of 4w9h by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7)
Descriptor: N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
7C4J
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BU of 7c4j by Molmil
Cryo-EM structure of the yeast Swi/Snf complex in a nucleosome free state
Descriptor: Actin-like protein ARP9, Actin-related protein 7, Regulator of Ty1 transposition protein 102, ...
Authors:Wang, C.C, Guo, Z.Y, Zhan, X.C, Zhang, X.F.
Deposit date:2020-05-18
Release date:2020-07-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of the yeast Swi/Snf complex in a nucleosome free state
Nat Commun, 2020
8CXI
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BU of 8cxi by Molmil
Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
Descriptor: A11 heavy chain, A11 light chain, Ankyrin repeat family A protein 2,Envelope E protein, ...
Authors:Liu, W, Zhang, X.K, Gong, D.Y, Dai, X.H, Sharma, A, Zhang, T.H, Rey, F, Zhou, Z.H.
Deposit date:2022-05-21
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
To Be Published
7UPN
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BU of 7upn by Molmil
Maedi visna virus Vif in complex with CypA and E3 ubiquitin ligase
Descriptor: Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase A, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2022-04-16
Release date:2023-01-25
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for recruitment of host CypA and E3 ubiquitin ligase by maedi-visna virus Vif.
Sci Adv, 9, 2023
7M2U
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BU of 7m2u by Molmil
Nucleotide Excision Repair complex TFIIH Rad4-33
Descriptor: CALCIUM ION, DNA repair helicase RAD25, DNA repair helicase RAD3, ...
Authors:van Eeuwen, T, Murakami, K.
Deposit date:2021-03-17
Release date:2021-07-28
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM structure of TFIIH/Rad4-Rad23-Rad33 in damaged DNA opening in nucleotide excision repair.
Nat Commun, 12, 2021
2EXU
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BU of 2exu by Molmil
Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOL, Transcription initiation protein SPT4/SPT5, ...
Authors:Xu, F, Guo, M, Fang, P, Teng, M, Niu, L.
Deposit date:2005-11-08
Release date:2006-11-08
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain
To be published
4JJN
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BU of 4jjn by Molmil
Crystal structure of heterochromatin protein Sir3 in complex with a silenced yeast nucleosome
Descriptor: DNA (146-MER), Histone H2A.2, Histone H2B.2, ...
Authors:Wang, F, Li, G, Mohammed, A, Lu, C, Currie, M, Johnson, A, Moazed, D.
Deposit date:2013-03-08
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Heterochromatin protein Sir3 induces contacts between the amino terminus of histone H4 and nucleosomal DNA.
Proc.Natl.Acad.Sci.USA, 110, 2013
7ZVN
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BU of 7zvn by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
Descriptor: 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7ZVX
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BU of 7zvx by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution
Descriptor: 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
9ATK
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BU of 9atk by Molmil
BIFUNCTIONAL INHIBITION OF NEUTROPHIL ELASTASE AND CATHEPSIN G by Eap4 of S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin-G, ...
Authors:Mishra, N.B, Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2024-02-27
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Bifunctional Inhibition of Neutrophil Elastase and Cathepsin-G by Eap4 from S. aureus
To Be Published
9ASS
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BU of 9ass by Molmil
Crystal Structure of Neutrophil Elastase Inhibited by Eap4 from S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, Neutrophil elastase, ...
Authors:Mishra, N.B, Geisbrecht, B.V.
Deposit date:2024-02-26
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Bifunctional Inhibition of Neutrophil Elastase and Cathepsin-G by Eap4 from S. aureus
To Be Published

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数据于2024-07-24公开中

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