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8AV0
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small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-08-26
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
2B53
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BU of 2b53 by Molmil
Human cyclin dependent kinase 2 (CDK2) complexed with DIN-234325
分子名称: 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quinazolines as Cyclin Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 11, 2001
2B55
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BU of 2b55 by Molmil
Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312
分子名称: 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3
J.Med.Chem., 45, 2002
3LL8
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BU of 3ll8 by Molmil
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
分子名称: AKAP79 peptide, CALCIUM ION, Calcineurin subunit B type 1, ...
著者Li, H, Hogan, P.G.
登録日2010-01-28
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者Li, D, Wang, W.
登録日2016-06-17
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
1H26
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BU of 1h26 by Molmil
CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53
分子名称: CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2
著者Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
登録日2002-07-31
公開日2003-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
3L5W
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BU of 3l5w by Molmil
Crystal structure of the complex between IL-13 and C836 FAB
分子名称: C836 HEAVY CHAIN, C836 LIGHT CHAIN, GLYCEROL, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
登録日2009-12-22
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
4BG6
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BU of 4bg6 by Molmil
14-3-3 interaction with Rnd3 prenyl-phosphorylation motif
分子名称: 14-3-3 PROTEIN ZETA/DELTA, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FARNESYL, ...
著者Riou, P, Kjaer, S, Purkiss, A, O'Reilly, N, McDonald, N.Q.
登録日2013-03-23
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献14-3-3 Proteins Interact with a Hybrid Prenyl-Phosphorylation Motif to Inhibit G Proteins.
Cell(Cambridge,Mass.), 153, 2013
7MKX
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BU of 7mkx by Molmil
Crystal Structure Analysis of human CDK2 and CCNA2 complex
分子名称: 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2
著者Seo, H.-S, Dhe-Paganon, S.
登録日2021-04-27
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Crystal Structure Analysis of human CDK2 and CCNA2 complex
To Be Published
4O0Z
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BU of 4o0z by Molmil
Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase
分子名称: N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Oh, A, Wang, W.
登録日2013-12-14
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
8TWA
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BU of 8twa by Molmil
Cryo-EM structure of S. cerevisiae Ctf18-RFC-PCNA-PolE-DNA complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, ...
著者Yuan, Z, Georgescu, R, O'Donnell, M, Li, H.
登録日2023-08-20
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM reveals that Ctf18-RFC collaborates with PolE to load the PCNA clamp onto a leading strand DNA
To Be Published
7NFW
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BU of 7nfw by Molmil
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
分子名称: 14-3-3 protein sigma, Estrogen receptor
著者Roversi, P, Falcicchio, M, Doveston, R.
登録日2021-02-08
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
1YO5
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BU of 1yo5 by Molmil
Analysis of the 2.0A crystal structure of the protein-DNA complex of human PDEF Ets domain bound to the prostate specific antigen regulatory site
分子名称: Enhancer site of Prostate Specific Antigen Promoter Region, SAM pointed domain containing ets transcription factor
著者Wang, Y, Feng, L, Said, M, Balderman, S, Fayazi, Z, Liu, Y, Ghosh, D, Gulick, A.M.
登録日2005-01-26
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of the 2.0 A Crystal Structure of the Protein-DNA Complex of the Human PDEF Ets Domain Bound to the Prostate Specific Antigen Regulatory Site
Biochemistry, 44, 2005
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
5JI5
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BU of 5ji5 by Molmil
Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
分子名称: 1,2-ETHANEDIOL, BuphA.10154.a.B1, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-04-21
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
to be published
8ANC
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BU of 8anc by Molmil
14-3-3 sigma sirtuin-3 phospho-peptide complex
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Weyand, M, Steegborn, C, Debbert, L.
登録日2022-08-05
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献14-3-3 sigma sirtuin-3 phospho-peptide complex
To Be Published
3HOM
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BU of 3hom by Molmil
Crystal structure of oxidized A66C mutant of Human acidic fibroblast growth factor
分子名称: Acidic fibroblast growth factor, FORMIC ACID, SULFATE ION
著者Blaber, M, Lee, J.
登録日2009-06-02
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine.
J.Mol.Biol., 393, 2009
8ANB
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BU of 8anb by Molmil
14-3-3 sigma sirtuin-1 phospho-peptide complex
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Weyand, M, Steegborn, C, Debbert, L.
登録日2022-08-05
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献14-3-3 sigma sirtuin-1 phospho-peptide complex
To Be Published
8ANF
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BU of 8anf by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074359)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ...
著者Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
登録日2022-08-05
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AQC
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BU of 8aqc by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080294)
分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-12
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ARW
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BU of 8arw by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076402)
分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-17
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ARY
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BU of 8ary by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080273)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-17
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ATR
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BU of 8atr by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
著者Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-24
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ATS
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BU of 8ats by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
著者Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-24
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AUY
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BU of 8auy by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1080298)
分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-26
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023

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件を2024-09-11に公開中

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