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6HMT
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BU of 6hmt by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 2
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen Receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-12
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HKB
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BU of 6hkb by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Descriptor: (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HHP
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BU of 6hhp by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1
Descriptor: (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-08-28
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HKF
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BU of 6hkf by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 4
Descriptor: (1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-06
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HMU
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BU of 6hmu by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to disulfide fragment PPI stabilizer 6
Descriptor: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide, Estrogen receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-12
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HN2
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BU of 6hn2 by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5
Descriptor: 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-13
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
Authors:Centorrino, F, Ottmann, C.
Deposit date:2022-07-08
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
6Y18
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BU of 6y18 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3
Descriptor: 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
3BTS
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BU of 3bts by Molmil
Crystal structure of a ternary complex of the transcriptional repressor Gal80p (Gal80S0 [G301R]) and the acidic activation domain of Gal4p (aa 854-874) from Saccharomyces cerevisiae with NAD
Descriptor: Galactose/lactose metabolism regulatory protein GAL80, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Regulatory protein GAL4
Authors:Kumar, P.R, Joshua-Tor, L.
Deposit date:2007-12-30
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NADP regulates the yeast GAL induction system.
Science, 319, 2008
3BRG
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BU of 3brg by Molmil
CSL (RBP-Jk) bound to DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DAP*DGP*DT)-3'), DNA (5'-D(*DTP*DTP*DAP*DCP*DTP*DGP*DTP*DGP*DGP*DGP*DAP*DAP*DAP*DGP*DA)-3'), ...
Authors:Friedmann, D.R, Kovall, R.A.
Deposit date:2007-12-21
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:RAM-induced Allostery Facilitates Assembly of a Notch Pathway Active Transcription Complex.
J.Biol.Chem., 283, 2008
3BRF
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BU of 3brf by Molmil
CSL (Lag-1) bound to DNA with Lin-12 RAM peptide, C2221
Descriptor: DNA (5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DAP*DGP*DT)-3'), DNA (5'-D(*DTP*DTP*DAP*DCP*DTP*DGP*DTP*DGP*DGP*DGP*DAP*DAP*DAP*DGP*DA)-3'), Lin-12 and glp-1 phenotype protein 1, ...
Authors:Wilson, J.J, Kovall, R.A.
Deposit date:2007-12-21
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:RAM-induced Allostery Facilitates Assembly of a Notch Pathway Active Transcription Complex.
J.Biol.Chem., 283, 2008
8CLJ
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BU of 8clj by Molmil
TFIIIC TauB-DNA dimer
Descriptor: General transcription factor 3C polypeptide 1, General transcription factor 3C polypeptide 2, General transcription factor 3C polypeptide 4, ...
Authors:Seifert-Davila, W, Girbig, M, Hauptmann, L, Hoffmann, T, Eustermann, S, Mueller, C.W.
Deposit date:2023-02-16
Release date:2023-06-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into human TFIIIC promoter recognition.
Sci Adv, 9, 2023
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
5BTH
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BU of 5bth by Molmil
Crystal structure of Candida albicans Rai1
Descriptor: Decapping nuclease RAI1
Authors:Wang, V.Y, Tong, L.
Deposit date:2015-06-03
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical studies of the distinct activity profiles of Rai1 enzymes.
Nucleic Acids Res., 43, 2015
4MK1
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BU of 4mk1 by Molmil
5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
Descriptor: 1,2-ETHANEDIOL, 5-bromo-3-hydroxypyridin-2(1H)-one, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4DLJ
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BU of 4dlj by Molmil
Human p38 MAP kinase in complex with RL163
Descriptor: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
Authors:Gruetter, C, Termathe, M.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
4DLI
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BU of 4dli by Molmil
Human p38 MAP kinase in complex with RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Gruetter, C, Getlik, M, Simard, J.R, Rauh, D.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
5BO4
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BU of 5bo4 by Molmil
Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals
Descriptor: Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2
Authors:Gadd, M.S, Bulatov, E, Ciulli, A.
Deposit date:2015-05-27
Release date:2015-07-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases.
Plos One, 10, 2015
5IY4
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BU of 5iy4 by Molmil
Crystal structure of human PCNA in complex with the PIP box of DVC1
Descriptor: DVC1 PIP box, Proliferating cell nuclear antigen
Authors:Jiang, T, Xu, M, Wang, Y.
Deposit date:2016-03-24
Release date:2016-06-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.945 Å)
Cite:Crystal structure of human PCNA in complex with the PIP box of DVC1
Biochem.Biophys.Res.Commun., 474, 2016
6P1A
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BU of 6p1a by Molmil
Transcription antitermination factor Q21 in complex with Q21-binding-element DNA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*TP*TP*GP*CP*TP*CP*AP*TP*TP*TP*GP*CP*TP*CP*AP*AP*TP*GP*AP*G)-3'), ...
Authors:Yin, Z, Ebright, R.H.
Deposit date:2019-05-19
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.837 Å)
Cite:Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
3K44
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BU of 3k44 by Molmil
Crystal Structure of Drosophila melanogaster Pur-alpha
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Purine-rich binding protein-alpha, ...
Authors:Graebsch, A, Roche, S, Niessing, D.
Deposit date:2009-10-05
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of Pur-alpha reveals a Whirly-like fold and an unusual nucleic-acid binding surface
Proc.Natl.Acad.Sci.USA, 106, 2009
8PEG
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BU of 8peg by Molmil
Escherichia coli paused disome complex (queueing 70S non-rotated closed PRE state)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:Fluegel, T, Schacherl, M.
Deposit date:2023-06-13
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Transient disome complex formation in native polysomes during ongoing protein synthesis captured by cryo-EM.
Nat Commun, 15, 2024
6KE6
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BU of 6ke6 by Molmil
3.4 angstrom cryo-EM structure of yeast 90S small subunit preribosome
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, Y, Ye, K, An, W.
Deposit date:2019-07-03
Release date:2020-08-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:3.4 angstrom cryo-EM structure of yeast 90S small subunit preribosome
To be published
7D63
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BU of 7d63 by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, Y, Zhang, J, An, W, Ye, K.
Deposit date:2020-09-29
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (12.3 Å)
Cite:Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
To Be Published
8PC2
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BU of 8pc2 by Molmil
SelDeg51 in complex with FKBP51FK1 domain and pVHL:EloB:EloC
Descriptor: Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Meyners, C, Walz, M, Geiger, T.M, Hausch, F.
Deposit date:2023-06-09
Release date:2023-11-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51).
Angew.Chem.Int.Ed.Engl., 63, 2024

223532

數據於2024-08-07公開中

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