6S39
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![BU of 6s39 by Molmil](/molmil-images/mine/6s39) | Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-24 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5EZ6
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![BU of 5ez6 by Molmil](/molmil-images/mine/5ez6) | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | 著者 | Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L. | 登録日 | 2015-11-26 | 公開日 | 2016-12-07 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA To Be Published
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6RWU
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![BU of 6rwu by Molmil](/molmil-images/mine/6rwu) | Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | 著者 | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-06 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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7B5N
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![BU of 7b5n by Molmil](/molmil-images/mine/7b5n) | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-UBE2L3~Ub~ARIH1. | 分子名称: | 5-azanylpentan-2-one, Cullin-1, E3 ubiquitin-protein ligase ARIH1, ... | 著者 | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | 登録日 | 2020-12-05 | 公開日 | 2021-02-10 | 最終更新日 | 2021-03-10 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
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6S40
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![BU of 6s40 by Molmil](/molmil-images/mine/6s40) | Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites | 分子名称: | 14-3-3 protein sigma, 4-chloranyl-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | 著者 | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-26 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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2RK4
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![BU of 2rk4 by Molmil](/molmil-images/mine/2rk4) | Structure of M26I DJ-1 | 分子名称: | Protein DJ-1 | 著者 | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | 登録日 | 2007-10-16 | 公開日 | 2008-01-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry, 47, 2008
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6RM5
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![BU of 6rm5 by Molmil](/molmil-images/mine/6rm5) | Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-05-05 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.884 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RLL
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![BU of 6rll by Molmil](/molmil-images/mine/6rll) | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | 著者 | Brown, D.G, Robinson, C.M, Pande, V. | 登録日 | 2019-05-02 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | A chemical probe for the methyl transferase PRMT5 with a novel
binding mode To Be Published
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6S3C
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![BU of 6s3c by Molmil](/molmil-images/mine/6s3c) | Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-25 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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3I5Z
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![BU of 3i5z by Molmil](/molmil-images/mine/3i5z) | |
6S9Q
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![BU of 6s9q by Molmil](/molmil-images/mine/6s9q) | Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex | 分子名称: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | 著者 | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-07-15 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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2RK3
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![BU of 2rk3 by Molmil](/molmil-images/mine/2rk3) | Structure of A104T DJ-1 | 分子名称: | Protein DJ-1 | 著者 | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | 登録日 | 2007-10-16 | 公開日 | 2008-01-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry, 47, 2008
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2RK6
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![BU of 2rk6 by Molmil](/molmil-images/mine/2rk6) | Structure of E163K DJ-1 | 分子名称: | Protein DJ-1 | 著者 | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | 登録日 | 2007-10-16 | 公開日 | 2008-01-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry, 47, 2008
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6SIN
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![BU of 6sin by Molmil](/molmil-images/mine/6sin) | Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-08-10 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SIP
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![BU of 6sip by Molmil](/molmil-images/mine/6sip) | Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 7-methoxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-08-10 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.600447 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SIQ
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![BU of 6siq by Molmil](/molmil-images/mine/6siq) | Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-08-10 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.60121 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SLV
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![BU of 6slv by Molmil](/molmil-images/mine/6slv) | Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | 登録日 | 2019-08-20 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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1MH4
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![BU of 1mh4 by Molmil](/molmil-images/mine/1mh4) | |
3P5K
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![BU of 3p5k by Molmil](/molmil-images/mine/3p5k) | P38 inhibitor-bound | 分子名称: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Namboodiri, H. | 登録日 | 2010-10-08 | 公開日 | 2011-11-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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1MH3
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![BU of 1mh3 by Molmil](/molmil-images/mine/1mh3) | |
3CHW
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![BU of 3chw by Molmil](/molmil-images/mine/3chw) | |
6Q0K
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![BU of 6q0k by Molmil](/molmil-images/mine/6q0k) | Structure of a MAPK pathway complex | 分子名称: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | 著者 | Park, E, Rawson, S, Jeon, H, Eck, M.J. | 登録日 | 2019-08-01 | 公開日 | 2019-10-09 | 最終更新日 | 2020-04-22 | 実験手法 | ELECTRON MICROSCOPY (6.8 Å) | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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4X6R
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![BU of 4x6r by Molmil](/molmil-images/mine/4x6r) | An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Wu, J, Taylor, S.S. | 登録日 | 2014-12-09 | 公開日 | 2015-07-22 | 最終更新日 | 2020-06-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes. Structure, 23, 2015
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1NLW
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![BU of 1nlw by Molmil](/molmil-images/mine/1nlw) | Crystal structure of Mad-Max recognizing DNA | 分子名称: | 5'-D(*GP*AP*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*C)-3', MAD PROTEIN, MAX PROTEIN | 著者 | Nair, S.K, Burley, S.K. | 登録日 | 2003-01-07 | 公開日 | 2003-02-04 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray structures of Myc-Max and Mad-Max recognizing DNA: Molecular bases of regulation by proto-oncogenic transcription factors Cell(Cambridge,Mass.), 112, 2003
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1NY6
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![BU of 1ny6 by Molmil](/molmil-images/mine/1ny6) | Crystal structure of sigm54 activator (AAA+ ATPase) in the active state | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, transcriptional regulator (NtrC family) | 著者 | Lee, S.Y, de la Torre, A, Kustu, S, Nixon, B.T, Wemmer, D.E. | 登録日 | 2003-02-11 | 公開日 | 2003-11-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Regulation of the transcriptional activator NtrC1: structural studies of the regulatory and AAA+ ATPase domains Genes Dev., 17, 2003
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