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7SUD
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BU of 7sud by Molmil
CryoEM structure of DNA-PK complex VIII
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ...
著者Chen, X, Liu, L, Gellert, M, Yang, W.
登録日2021-11-16
公開日2022-01-12
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
5XWR
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BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
分子名称: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
著者Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
登録日2017-06-30
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XXQ
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BU of 5xxq by Molmil
Crystal structure of RBBP4: ZNF827 and its function in telomere
分子名称: Histone-binding protein RBBP4, Zinc finger protein 827
著者Sun, A, Shi, Y.
登録日2017-07-04
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of RBBP4: ZNF827 and its function in telomere
To Be Published
7B5L
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BU of 7b5l by Molmil
Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1
分子名称: 5-azanylpentan-2-one, Cullin-1, Cyclin-A2, ...
著者Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
登録日2020-12-04
公開日2021-02-10
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
6FVU
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BU of 6fvu by Molmil
26S proteasome, s2 state
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
著者Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
登録日2018-03-05
公開日2018-08-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-03
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
著者Elkins, P.A, Wang, L.
登録日2019-06-04
公開日2020-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
7AT8
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BU of 7at8 by Molmil
Histone H3 recognition by nucleosome-bound PRC2 subunit EZH2.
分子名称: Histone H2A, Histone H2B 1.1, Histone H3.2, ...
著者Finogenova, K, Benda, C, Schaefer, I.B, Poepsel, S, Strauss, M, Mueller, J.
登録日2020-10-29
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural basis for PRC2 decoding of active histone methylation marks H3K36me2/3.
Elife, 9, 2020
8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
分子名称: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
著者Ge, W, Yu, C, Xu, R.M.
登録日2022-10-04
公開日2023-02-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
5XPT
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BU of 5xpt by Molmil
Crystal structure of MAD2L2/REV7 in complex with a CAMP fragment in a tetragonal crystal
分子名称: Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
著者Hara, K, Taharazako, S, Hashimoto, H.
登録日2017-06-05
公開日2017-09-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Dynamic feature of mitotic arrest deficient 2-like protein 2 (MAD2L2) and structural basis for its interaction with chromosome alignment-maintaining phosphoprotein (CAMP).
J. Biol. Chem., 292, 2017
5XPU
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BU of 5xpu by Molmil
Crystal structure of MAD2L2/REV7 in complex with a CAMP fragment in a monoclinic crystal
分子名称: Chromosome alignment-maintaining phosphoprotein 1, Mitotic spindle assembly checkpoint protein MAD2B
著者Hara, K, Taharazako, S, Hashimoto, H.
登録日2017-06-05
公開日2017-09-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Dynamic feature of mitotic arrest deficient 2-like protein 2 (MAD2L2) and structural basis for its interaction with chromosome alignment-maintaining phosphoprotein (CAMP).
J. Biol. Chem., 292, 2017
8OWO
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BU of 8owo by Molmil
SMYD3 in complex with fragment FL01507
分子名称: 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2023-04-28
公開日2023-08-30
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
1QVN
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BU of 1qvn by Molmil
Structure of SP4160 Bound to IL-2 V69A
分子名称: 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE, Interleukin-2, ZINC ION
著者Thanos, C.D, Delano, W.L, Wells, J.A.
登録日2003-08-28
公開日2005-04-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hot-spot mimicry of a cytokine receptor by a small molecule.
Proc.Natl.Acad.Sci.USA, 103, 2006
8H36
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BU of 8h36 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H37
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BU of 8h37 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.52 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3F
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BU of 8h3f by Molmil
Cryo-EM Structure of the KBTBD2-CRL3-CSN complex
分子名称: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (6.73 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3A
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BU of 8h3a by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8(removed)-CSN complex
分子名称: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.51 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H38
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BU of 8h38 by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex
分子名称: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
著者Hu, Y, Mao, Q, Chen, Z, Sun, L.
登録日2022-10-08
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8HPO
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BU of 8hpo by Molmil
Cryo-EM structure of a SIN3/HDAC complex from budding yeast
分子名称: Histone deacetylase RPD3, PHOSPHOTHREONINE, POTASSIUM ION, ...
著者Guo, Z, Zhan, X, Wang, C.
登録日2022-12-12
公開日2023-05-03
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure of a SIN3-HDAC complex from budding yeast.
Nat.Struct.Mol.Biol., 30, 2023
1QB3
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BU of 1qb3 by Molmil
CRYSTAL STRUCTURE OF THE CELL CYCLE REGULATORY PROTEIN CKS1
分子名称: CYCLIN-DEPENDENT KINASES REGULATORY SUBUNIT
著者Bourne, Y, Watson, M.H, Arvai, A.S, Bernstein, S.L, Reed, S.I, Tainer, J.A.
登録日1999-04-30
公開日2000-08-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure and mutational analysis of the Saccharomyces cerevisiae cell cycle regulatory protein Cks1: implications for domain swapping, anion binding and protein interactions.
Structure Fold.Des., 8, 2000
6FMJ
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BU of 6fmj by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
6FMK
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BU of 6fmk by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4)
分子名称: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
3BWE
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BU of 3bwe by Molmil
Crystal structure of aggregated form of DJ1
分子名称: PHOSPHATE ION, Protein DJ-1
著者Cha, S.S.
登録日2008-01-09
公開日2008-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of filamentous aggregates of human DJ-1 formed in an inorganic phosphate-dependent manner.
J.Biol.Chem., 283, 2008
7O2C
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BU of 7o2c by Molmil
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035
分子名称: (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7O2A
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BU of 7o2a by Molmil
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15
分子名称: (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021

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