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4GSG
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BU of 4gsg by Molmil
DNA Holliday junction stabilized by chlorine halogen bond. Cl1J construct of related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(UCL)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
8AM0
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BU of 8am0 by Molmil
Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib)
分子名称: (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Goncalves, M, Johnson, J.L, Roewer, K.M.
登録日2022-08-02
公開日2023-12-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Epinephrine inhibits PI3K alpha via the Hippo kinases.
Cell Rep, 42, 2023
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
著者Murray, J.M, Shia, S.
登録日2012-08-16
公開日2013-06-19
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GRE
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BU of 4gre by Molmil
DNA holliday junction stabilized by iodine halogen bond. I2J Construct of related reference
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(IOU)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-24
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4GSI
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BU of 4gsi by Molmil
DNA Holliday junction stabilized by fluorine halogen bond. F2J construct of related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(UFP)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
著者Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
登録日2012-08-30
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GS2
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BU of 4gs2 by Molmil
DNA Holliday junction stabilized by iodine halogen bond. I1J construct in related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(5IU)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4GE4
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BU of 4ge4 by Molmil
Kynurenine Aminotransferase II Inhibitors
分子名称: (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
著者Pandit, J.
登録日2012-08-01
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
分子名称: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4G1N
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BU of 4g1n by Molmil
PKM2 in complex with an activator
分子名称: MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ...
著者Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C.
登録日2012-07-10
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy.
Chem.Biol., 19, 2012
4G3C
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BU of 4g3c by Molmil
Crystal structure of apo murine Nf-kappaB inducing kinase (NIK)
分子名称: NF-kappa-beta-inducing kinase, SULFATE ION
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
分子名称: Xylanase
著者Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
登録日2021-01-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
4JQV
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BU of 4jqv by Molmil
HLA-B*18:01 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 173-180)
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Welland, A, Gras, S, Rossjohn, J.
登録日2013-03-20
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献HLA Peptide Length Preferences Control CD8+ T Cell Responses.
J.Immunol., 191, 2013
2FL2
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BU of 2fl2 by Molmil
crystal structure of KSP in complex with inhibitor 19
分子名称: (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2006-01-05
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
2FL6
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BU of 2fl6 by Molmil
crystal structure of KSP in complex with inhibitor 6
分子名称: (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yan, Y.
登録日2006-01-05
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 16, 2006
8CKW
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BU of 8ckw by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL1
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BU of 8cl1 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to CPSF6 peptide.
分子名称: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL4
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BU of 8cl4 by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs bound to Sec24C peptide
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKZ
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BU of 8ckz by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs bound to Nup153 peptide
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL2
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BU of 8cl2 by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs bound to CPSF6 peptide
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKX
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BU of 8ckx by Molmil
HIV-1 mature capsid hexamer next to pentamer (type I) from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKY
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BU of 8cky by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to Nup153 peptide
分子名称: Gag polyprotein, Nuclear pore complex protein Nup153
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKV
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BU of 8ckv by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL3
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BU of 8cl3 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to Sec24C peptide.
分子名称: Gag polyprotein, Protein transport protein Sec24C
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL0
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BU of 8cl0 by Molmil
HIV-1 mature capsid hexamer next to pentamer (type I) from CA-IP6 CLPs bound to Nup153 peptide.
分子名称: Gag polyprotein, Nuclear pore complex protein Nup153
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023

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