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PDB: 40 件
4WKJ
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Crystallographic Structure of a Dodecameric RNA-DNA Hybrid
分子名称: DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3')
著者Davis, R.R, Shaban, N.M, Perrino, F.W, Hollis, T.
登録日2014-10-02
公開日2014-10-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of RNA-DNA duplex provides insight into conformational changes induced by RNase H binding.
Cell Cycle, 14, 2015
5FGY
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Structure of human adenovirus 2 protease with cofactor pVIC
分子名称: Protease, pVIC
著者Davis, R.R, Martinez, P, Hollis, T.
登録日2015-12-21
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human adenovirus 2 protease with cofactor pVIC
To Be Published
6VNK
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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
6VGL
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JAK2 JH1 in complex with ruxolitinib
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2020-01-08
公開日2021-01-13
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
6VNB
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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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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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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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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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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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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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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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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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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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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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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
6VS3
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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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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
5TSJ
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BU of 5tsj by Molmil
Thermus thermophilus V/A-ATPase bound to VH dAbs
分子名称: Archaeal/vacuolar-type H+-ATPase subunit I, Human heavy chain domain antibody, V-type ATP synthase alpha chain, ...
著者Davies, R.B, Smits, C, Wong, A.S.W, Stock, D, Sandin, S, Stewart, A.G.
登録日2016-10-29
公開日2017-02-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Cryo-EM analysis of a domain antibody bound rotary ATPase complex.
J. Struct. Biol., 197, 2017
3HXG
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BU of 3hxg by Molmil
Crystal structure of Schistsome eIF4E complexed with m7GpppA and 4E-BP
分子名称: Eukaryotic Translation Initiation Factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE
著者Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E.
登録日2009-06-20
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
3HXI
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Crystal structure of Schistosome eIF4E complexed with m7GpppG and 4E-BP
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Eukaryotic Translation Initiation 4E, Eukaryotic translation initiation factor 4E-binding protein 1
著者Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E.
登録日2009-06-20
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
1R5U
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BU of 1r5u by Molmil
RNA POLYMERASE II TFIIB COMPLEX
分子名称: DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ...
著者Bushnell, D.A, Westover, K.D, Davis, R, Kornberg, R.D.
登録日2003-10-13
公開日2004-02-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural basis of transcription: an RNA polymerase II-TFIIB cocrystal at 4.5 Angstroms.
Science, 303, 2004
3P4V
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Human carbonic anhydrase II in complex with (+)-Xylariamide A
分子名称: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Nankervis, T, Davis, R.
登録日2010-10-07
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases.
J.Med.Chem., 54, 2011
6PCO
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BU of 6pco by Molmil
Mechanism for regulation of DNA binding of Bordetella bronchiseptica BpsR by 6-hydroxynicotinic acid
分子名称: 1,4-BUTANEDIOL, MarR-family transcriptional regulator
著者Booth, W.T, Davis, R.R, Deora, R, Hollis, T.
登録日2019-06-17
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural mechanism for regulation of DNA binding of BpsR, a Bordetella regulator of biofilm formation, by 6-hydroxynicotinic acid.
Plos One, 14, 2019
1FVR
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TIE2 KINASE DOMAIN
分子名称: TYROSINE-PROTEIN KINASE TIE-2
著者Shewchuk, L.M, Hassell, A.M, Ellis, B, Holmes, W.D, Davis, R, Horne, E.L, Kadwell, S.H, McKee, D.D, Moore, J.T.
登録日2000-09-20
公開日2001-09-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the Tie2 RTK domain: self-inhibition by the nucleotide binding loop, activation loop, and C-terminal tail.
Structure Fold.Des., 8, 2000
3NB5
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BU of 3nb5 by Molmil
Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
分子名称: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Hofmann, A, Osman, A, Davis, R.A.
登録日2010-06-02
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
J.Med.Chem., 54, 2011

 

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