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8BDS
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BU of 8bds by Molmil
Ternary complex between VCB, BRD4-BD1 and PROTAC 48
Descriptor: (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-20
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDX
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BU of 8bdx by Molmil
Ternary complex between VCB, BRD4-BD2 and PROTAC 48
Descriptor: (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ...
Authors:Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
Deposit date:2022-10-20
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
6Y3W
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BU of 6y3w by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
Descriptor: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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
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
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
2LU0
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BU of 2lu0 by Molmil
NMR solution structure of the kappa-zeta region of S.cerevisiae group II intron ai5(gamma)
Descriptor: RNA (49-MER)
Authors:Donghi, D, Pechlaner, M, Finazzo, C, Knobloch, B, Sigel, R.K.O.
Deposit date:2012-06-05
Release date:2013-04-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The structural stabilization of the kappa three-way junction by Mg(II) represents the first step in the folding of a group II intron.
Nucleic Acids Res., 41, 2013
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
1PVC
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BU of 1pvc by Molmil
REFINEMENT OF THE SABIN STRAIN OF TYPE 3 POLIOVIRUS AT 2.4 ANGSTROMS AND THE CRYSTAL STRUCTURES OF ITS VARIANTS AT 2.9 ANGSTROMS RESOLUTION
Descriptor: MYRISTIC ACID, POLIOVIRUS TYPE 3, SABIN STRAIN, ...
Authors:Syed, R, Filman, D.J, Hogle, J.M.
Deposit date:1995-03-30
Release date:1995-09-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refinement of the Sabin Strain of Type 3 Poliovirus at 2.4 Angstroms and the Crystal Structures of its Variants at 2.9 Angstroms Resolution
To be Published
9FQ0
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BU of 9fq0 by Molmil
Human NatA-NAC-MAP1 80S ribosome complex
Descriptor: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L19, ...
Authors:Klein, M.A, Wild, K, Sinning, I.
Deposit date:2024-06-14
Release date:2024-07-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.67 Å)
Cite:Multi-protein assemblies orchestrate enzymatic processing of the nascent chain on the 80S ribosome
To Be Published
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
6FTI
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BU of 6fti by Molmil
Cryo-EM Structure of the Mammalian Oligosaccharyltransferase Bound to Sec61 and the Programmed 80S Ribosome
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Braunger, K, Becker, T, Beckmann, R.
Deposit date:2018-02-22
Release date:2018-03-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis for coupling protein transport and N-glycosylation at the mammalian endoplasmic reticulum.
Science, 360, 2018
6W0L
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BU of 6w0l by Molmil
Henipavirus W protein interacts with 14-3-3 to modulate host gene expression
Descriptor: 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide
Authors:Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C.
Deposit date:2020-03-01
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression.
J.Virol., 94, 2020
7SUD
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BU of 7sud by Molmil
CryoEM structure of DNA-PK complex VIII
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ...
Authors:Chen, X, Liu, L, Gellert, M, Yang, W.
Deposit date:2021-11-16
Release date:2022-01-12
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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
6P7W
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BU of 6p7w by Molmil
Structure of the K. lactis CBF3 core - Ndc10 D1 complex
Descriptor: Cep3, Ctf13, Ndc10, ...
Authors:Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
Deposit date:2019-06-06
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
6P7V
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BU of 6p7v by Molmil
Structure of the K. lactis CBF3 core
Descriptor: Cep3, Ctf13, Skp1
Authors:Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
Deposit date:2019-06-06
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
7OHA
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BU of 7oha by Molmil
nucleosome with TBP and TFIIA bound at SHL +2
Descriptor: DNA (122-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Wang, H, Cramer, P.
Deposit date:2021-05-09
Release date:2021-07-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures and implications of TBP-nucleosome complexes.
Proc.Natl.Acad.Sci.USA, 118, 2021
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
8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
5XQM
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BU of 5xqm by Molmil
NMR solution structure of SMO1, Sumo homologue in Caenorhabditis elegans
Descriptor: Small ubiquitin-related modifier
Authors:Gowda, C.M, Surana, P, Das, R.
Deposit date:2017-06-07
Release date:2017-11-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and functional analysis of SMO-1, the SUMO homolog in Caenorhabditis elegans
PLoS ONE, 12, 2017
7OH9
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BU of 7oh9 by Molmil
Nucleosome with TBP and TFIIA bound at SHL -6
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Wang, H, Cramer, P.
Deposit date:2021-05-09
Release date:2021-07-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures and implications of TBP-nucleosome complexes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7D5T
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BU of 7d5t by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, Y, Zhang, J, An, W, Ye, K.
Deposit date:2020-09-28
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
To Be Published
7OHB
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BU of 7ohb by Molmil
TBP-nucleosome complex
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Wang, H, Cramer, P.
Deposit date:2021-05-10
Release date:2021-07-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures and implications of TBP-nucleosome complexes.
Proc.Natl.Acad.Sci.USA, 118, 2021
7QWS
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BU of 7qws by Molmil
Structure of ribosome translating beta-tubulin in complex with TTC5 and NAC
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E.
Deposit date:2022-01-25
Release date:2022-03-09
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting.
Science, 375, 2022

223532

數據於2024-08-07公開中

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