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8H34
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Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 hexameric 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2022-10-07
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.99 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
6MON
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BU of 6mon by Molmil
Crystal structure of human SMYD2 in complex with Nle-peptide inhibitor
分子名称: GLYCEROL, LYS-LEU-NLE-SER-LYS-ARG-GLY, N-lysine methyltransferase SMYD2, ...
著者Spellmon, N, Cornett, E, Brunzelle, J, Rothbart, S, Yang, Z.
登録日2018-10-04
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献A functional proteomics platform to reveal the sequence determinants of lysine methyltransferase substrate selectivity.
Sci Adv, 4, 2018
8H3R
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BU of 8h3r by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8 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2022-10-09
公開日2023-10-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (6.36 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
5EG6
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BU of 5eg6 by Molmil
CSL-RITA complex bound to DNA
分子名称: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), ...
著者Tabaja, N.H, Kovall, R.A.
登録日2015-10-26
公開日2017-04-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.094 Å)
主引用文献CSL-RITA complex bound to DNA
To Be Published
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
分子名称: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-04
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
8IG0
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BU of 8ig0 by Molmil
Crystal structure of menin in complex with DS-1594b
分子名称: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
著者Suzuki, M, Yoneyama, T, Imai, E.
登録日2023-02-20
公開日2023-03-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
4P36
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BU of 4p36 by Molmil
Crystal structure of DJ-1 With Zn(II) bound (crystal 2)
分子名称: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.182 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
8I0Q
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Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine)
分子名称: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2023-01-11
公開日2023-05-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.45 Å)
主引用文献Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
4P35
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BU of 4p35 by Molmil
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
分子名称: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
3U86
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BU of 3u86 by Molmil
Crystal structure of human menin in complex with JunD
分子名称: Menin, Transcription factor jun-D
著者Huang, J, Wan, B, Lei, M.
登録日2011-10-15
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.843 Å)
主引用文献The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
5D2M
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BU of 5d2m by Molmil
Complex between human SUMO2-RANGAP1, UBC9 and ZNF451
分子名称: 1,2-ETHANEDIOL, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
著者Cappadocia, L, Lima, C.D.
登録日2015-08-05
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for catalytic activation by the human ZNF451 SUMO E3 ligase.
Nat.Struct.Mol.Biol., 22, 2015
8PPW
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BU of 8ppw by Molmil
Structure of human PARK7 in complex with GK16S
分子名称: (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide, Parkinson disease protein 7
著者Grethe, C, Gersch, M.
登録日2023-07-10
公開日2024-01-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
8PQ0
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BU of 8pq0 by Molmil
Structure of human PARK7 in complex with GK16R
分子名称: (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7
著者Grethe, C, Gersch, M.
登録日2023-07-10
公開日2024-01-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1.
Angew.Chem.Int.Ed.Engl., 63, 2024
4OQ4
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BU of 4oq4 by Molmil
Crystal Structure of E18A Human DJ-1
分子名称: Protein DJ-1, SODIUM ION
著者Prahlad, J, Hauser, D.N, Milkovic, N.M, Cookson, M.R, Wilson, M.A.
登録日2014-02-07
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Use of cysteine-reactive cross-linkers to probe conformational flexibility of human DJ-1 demonstrates that Glu18 mutations are dimers.
J Neurochem, 130, 2014
6OI0
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BU of 6oi0 by Molmil
Crystal structure of human WDR5 in complex with L-arginine
分子名称: ARGININE, GLYCEROL, SULFATE ION, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
8I0N
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BU of 8i0n by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
分子名称: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2023-01-11
公開日2023-05-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
3U85
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BU of 3u85 by Molmil
Crystal structure of human menin in complex with MLL1
分子名称: Histone-lysine N-methyltransferase 2A, Menin
著者Huang, J, Wan, B, Lei, M.
登録日2011-10-15
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
5XXD
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BU of 5xxd by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 1
分子名称: S-ADENOSYLMETHIONINE, Smyd3 methyltransferase, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-07-03
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 1
To Be Published
5LXJ
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BU of 5lxj by Molmil
Solution NMR structure of the X domain of Peste des Petits Ruminants phosphoprotein
分子名称: Phosphoprotein
著者Pereira, N, Piuzzi, M, Bontems, F, Eleouet, J.-F, Sizun, C.
登録日2016-09-21
公開日2017-10-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution structure of the X domain of Peste des Petits Ruminants Virus phosphoprotein and interaction with the nucleoprotein
To Be Published
5HBH
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BU of 5hbh by Molmil
CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide
分子名称: 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
4KIN
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BU of 4kin by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
分子名称: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
8J8Z
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BU of 8j8z by Molmil
Structure of beta-arrestin1 in complex with D6Rpp
分子名称: Atypical chemokine receptor 2, Beta-arrestin-1, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K.
登録日2023-05-02
公開日2023-12-27
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
5HBE
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BU of 5hbe by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one
分子名称: 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
3UP0
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BU of 3up0 by Molmil
Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid
分子名称: (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12
著者Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E.
登録日2011-11-17
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
5HNB
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CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone
分子名称: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Schiemann, K.
登録日2016-01-18
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone
To Be Published

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