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6Y7Y
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BU of 6y7y by Molmil
Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha
分子名称: (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-02
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5JHT
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BU of 5jht by Molmil
Apo form of influenza strain H1N1 polymerase acidic subunit N-terminal region crystallized with potassium sodium tartrate
分子名称: L(+)-TARTARIC ACID, MANGANESE (II) ION, Polymerase acidic protein
著者Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T.
登録日2016-04-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Influence of Precipitants on Molecular Arrangements and Space Groups of Protein Crystals
Cryst.Growth Des., 17, 2017
6Y81
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BU of 6y81 by Molmil
Fragment KCL_1088 in complex with MAP kinase p38-alpha
分子名称: (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide, 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6Y80
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BU of 6y80 by Molmil
Fragment KCL_916 in complex with MAP kinase p38-alpha
分子名称: 1-(2-adamantylmethyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-02
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6FS8
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BU of 6fs8 by Molmil
Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA)
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
著者Cusack, S, Speranzini, V.
登録日2018-02-19
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
6YCW
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BU of 6ycw by Molmil
Fragment KCL_K767 in complex with MAP kinase p38-alpha
分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-19
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6Y7X
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BU of 6y7x by Molmil
Fragment KCL_771 in complex with MAP kinase p38-alpha
分子名称: (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-02
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5JHV
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BU of 5jhv by Molmil
Apo form of influenza strain H1N1 polymerase acidic subunit N-terminal region crystallized with polyethylene glycol 8000
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T.
登録日2016-04-21
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献Influence of Precipitants on Molecular Arrangements and Space Groups of Protein Crystals
Cryst.Growth Des., 17, 2017
7XGC
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BU of 7xgc by Molmil
Crystal structure of influenza polymerase acidic subunit N-terminal domain crystallized by ammonium sulfate with glycan
分子名称: MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION
著者Guo, Y, Hoshino, T.
登録日2022-04-04
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Influence of Glycan Agents on Protein Crystallization with Ammonium Sulfate
Cryst.Growth Des., 2022
6BC8
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BU of 6bc8 by Molmil
Crystal structure of Rev7-R124A/Rev3-RBM2 (residues 1988-2014) complex
分子名称: ACETATE ION, DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B, ...
著者Rizzo, A.A, Hao, B, Li, Y, Korzhnev, D.M.
登録日2017-10-20
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BI7
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BU of 6bi7 by Molmil
Crystal structure of Rev7-WT/Rev3 as a monomer under high-salt conditions
分子名称: DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B
著者Rizzo, A.A, Korzhnev, D.M, Hao, B, Li, Y.
登録日2017-11-01
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4H5Q
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BU of 4h5q by Molmil
Crystal Structure of Rift Valley Fever Virus Nucleocapsid Protein Hexamer Bound to Single-stranded DNA
分子名称: 30-mer poly(T) DNA, Nucleocapsid protein
著者Raymond, D.D, Smith, J.L.
登録日2012-09-18
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
4M5U
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BU of 4m5u by Molmil
5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease
分子名称: 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase PA, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-08
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease.
Bioorg.Med.Chem., 21, 2013
4H5L
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BU of 4h5l by Molmil
Crystal Structure of Toscana Virus Nucleocapsid Protein Hexamer
分子名称: Nucleoprotein
著者Raymond, D.D, Smith, J.L.
登録日2012-09-18
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
7XME
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BU of 7xme by Molmil
Structure of Influenza A virus polymerase basic protein 2 (PB2) with an azazindole derivative
分子名称: (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, IODIDE ION, Polymerase basic protein 2
著者Zhang, Z.
登録日2022-04-25
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.521 Å)
主引用文献Discovery of a novel azaindole derivatives targeting the influenza PB2 cap binding region
To Be Published
6BCD
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BU of 6bcd by Molmil
Crystal structure of Rev7-K44A/R124A/A135D in complex with Rev3-RBM2 (residues 1988-2014)
分子名称: DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B
著者Rizzo, A.A, Hao, B, Li, Y, Korzhnev, D.M.
登録日2017-10-20
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4H5M
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BU of 4h5m by Molmil
Crystal Structure of Rift Valley Fever Virus Nucleocapsid Protein Hexamer
分子名称: Nucleocapsid protein, SULFATE ION
著者Raymond, D.D, Smith, J.L.
登録日2012-09-18
公開日2012-11-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
7PRD
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BU of 7prd by Molmil
Solution structure of the chimeric Nrd1-Nab3 heterodimerization domains
分子名称: Protein NRD1,HLJ1_G0022400.mRNA.1.CDS.1
著者Chaves-Arquero, B, Martinez-Lumbreras, S, Perez-Canadillas, J.M.
登録日2021-09-21
公開日2022-01-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural basis of Nrd1-Nab3 heterodimerization.
Life Sci Alliance, 5, 2022
6NZ2
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BU of 6nz2 by Molmil
NMR solution structure of Bcd1p120-303 from Saccharomyces cerevisiae
分子名称: Box C/D snoRNA protein 1
著者Bragantini, B, Quinternet, M, Charpentier, B, Manival, X.
登録日2019-02-12
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity.
Nat Commun, 12, 2021
7E4W
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BU of 7e4w by Molmil
Human Transcriptional Co-activator PC4 (C-terminal Domain) in space group P1211
分子名称: Activated RNA polymerase II transcriptional coactivator p15
著者Dev, A, Pandey, B, Basu, G.
登録日2021-02-15
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights on the disruption of the complex between human positive coactivator 4 and p53 by small molecules.
Biochem.Biophys.Res.Commun., 578, 2021
7UMK
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BU of 7umk by Molmil
Structure of vesicular stomatitis virus (helical reconstruction, 4.1 A resolution)
分子名称: Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*U)-3')
著者Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C.
登録日2022-04-07
公開日2022-04-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
4HXD
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BU of 4hxd by Molmil
Diversity of ubiquitin and ISG15 specificity amongst nairoviruses viral ovarian tumor domain proteases
分子名称: 1.7.6 3-bromanylpropan-1-amine, Polyubiquitin-C, RNA-directed RNA polymerase L, ...
著者Capodagli, G.C, Pegan, S.D.
登録日2012-11-09
公開日2013-02-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Diversity of Ubiquitin and ISG15 Specificity among Nairoviruses' Viral Ovarian Tumor Domain Proteases.
J.Virol., 87, 2013
5XE7
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BU of 5xe7 by Molmil
Crystal structure of Mycobacterium tuberculosis extracytoplasmic function sigma factor SigJ
分子名称: ECF RNA polymerase sigma factor SigJ
著者Goutam, K, Gopal, B.
登録日2017-04-01
公開日2017-07-19
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献The fused SnoaL_2 domain in the Mycobacterium tuberculosis sigma factor sigma J modulates promoter recognition
Nucleic Acids Res., 45, 2017
6ONO
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BU of 6ono by Molmil
Complex structure of WhiB1 and region 4 of SigA in C2221 space group
分子名称: DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ...
著者Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M.
登録日2019-04-22
公開日2019-11-27
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
4UN0
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BU of 4un0 by Molmil
Crystal structure of the human CDK12-cyclinK complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-05-22
公開日2014-06-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015

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