3JZQ
 
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3JZR
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3JZP
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2QYF
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6VNB
 | | JAK2 JH1 in complex with BL2-084 | | Descriptor: | (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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNE
 | | JAK2 JH1 in complex with Fedratinib | | Descriptor: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNC
 | | JAK2 JH1 in complex with BL2-096 | | Descriptor: | (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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNG
 | | JAK2 JH1 in complex with PN2-118 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNH
 | | JAK2 JH1 in complex with PN2-123 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNF
 | | JAK2 JH1 in complex with MA9-086 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VN8
 | | JAK2 JH1 in complex with baricitinib | | Descriptor: | Baricitinib, Tyrosine-protein kinase JAK2 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNJ
 | | JAK2 JH1 in complex with PN4-014 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNM
 | | JAK2 JH1 in complex with SY5-103 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNI
 | | JAK2 JH1 in complex with PN3-115 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNL
 | | JAK2 JH1 in complex with SG3-179 | | Descriptor: | 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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VNK
 | | JAK2 JH1 in complex with PN4-073 | | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VS3
 | | JAK2 JH1 in complex with BL2-057 | | Descriptor: | (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 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-02-10 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VSN
 | | JAK2 JH1 in complex with BL2-110 | | Descriptor: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-02-11 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6D4O
 | | Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate | | Descriptor: | (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, ... | | Authors: | Pellock, S.J, Walton, W.G, Redinbo, M.R. | | Deposit date: | 2018-04-18 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018
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7YI4
 | | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state | | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI2
 | | Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI1
 | | Cryo-EM structure of Eaf3 CHD bound to H3K36me3 nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI3
 | | Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI0
 | | Cryo-EM structure of Rpd3S complex | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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7YI5
 | | Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state | | Descriptor: | Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... | | Authors: | Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S.
Nature, 620, 2023
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