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3JZQ
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BU of 3jzq by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: Protein Mdm4, SULFATE ION, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZR
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BU of 3jzr by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)
分子名称: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZP
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BU of 3jzp by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDI6W)
分子名称: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
2QYF
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BU of 2qyf by Molmil
Crystal structure of the Mad2/p31(comet)/Mad2-binding peptide ternary complex
分子名称: MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, peptide
著者Tomchick, D.R, Luo, X.
登録日2007-08-14
公開日2008-01-29
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献p31comet blocks Mad2 activation through structural mimicry.
Cell(Cambridge,Mass.), 131, 2007
6VNB
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BU of 6vnb by Molmil
JAK2 JH1 in complex with BL2-084
分子名称: (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNE
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BU of 6vne by Molmil
JAK2 JH1 in complex with Fedratinib
分子名称: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNC
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BU of 6vnc by Molmil
JAK2 JH1 in complex with BL2-096
分子名称: (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNG
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BU of 6vng by Molmil
JAK2 JH1 in complex with PN2-118
分子名称: N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNH
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BU of 6vnh by Molmil
JAK2 JH1 in complex with PN2-123
分子名称: N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNF
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BU of 6vnf by Molmil
JAK2 JH1 in complex with MA9-086
分子名称: N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VN8
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BU of 6vn8 by Molmil
JAK2 JH1 in complex with baricitinib
分子名称: Baricitinib, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNJ
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BU of 6vnj by Molmil
JAK2 JH1 in complex with PN4-014
分子名称: 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNM
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BU of 6vnm by Molmil
JAK2 JH1 in complex with SY5-103
分子名称: 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNI
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BU of 6vni by Molmil
JAK2 JH1 in complex with PN3-115
分子名称: 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNL
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BU of 6vnl by Molmil
JAK2 JH1 in complex with SG3-179
分子名称: 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VNK
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BU of 6vnk by Molmil
JAK2 JH1 in complex with PN4-073
分子名称: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-01-29
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VS3
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BU of 6vs3 by Molmil
JAK2 JH1 in complex with BL2-057
分子名称: (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-02-10
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6VSN
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BU of 6vsn by Molmil
JAK2 JH1 in complex with BL2-110
分子名称: (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2
著者Davis, R.R, Schonbrunn, E.
登録日2020-02-11
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
6D4O
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BU of 6d4o by Molmil
Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate
分子名称: (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine, Beta-glucuronidase, CHLORIDE ION, ...
著者Pellock, S.J, Walton, W.G, Redinbo, M.R.
登録日2018-04-18
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018
7YI4
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BU of 7yi4 by Molmil
Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state
分子名称: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ...
著者Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
登録日2022-07-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI2
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BU of 7yi2 by Molmil
Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex
分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
著者Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
登録日2022-07-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI1
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BU of 7yi1 by Molmil
Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome
分子名称: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ...
著者Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
登録日2022-07-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI3
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BU of 7yi3 by Molmil
Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex
分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
著者Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
登録日2022-07-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI0
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BU of 7yi0 by Molmil
Cryo-EM structure of Rpd3S complex
分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
著者Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
登録日2022-07-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
7YI5
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BU of 7yi5 by Molmil
Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state
分子名称: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ...
著者Li, H.T, Yan, C.Y, Guan, H.P, Wang, P.
登録日2022-07-14
公開日2023-06-14
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023

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