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8BXM
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fragment-linked stabilizer for ERa - 14-3-3 interaction (1074397)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-09
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZ9
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BU of 8bz9 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ354)
分子名称: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYG
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fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-12
公開日2023-08-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYO
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BU of 8byo by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2023-01-18
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYE
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BU of 8bye by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075313)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYB
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BU of 8byb by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074398)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BX4
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BU of 8bx4 by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074392)
分子名称: 14-3-3 protein sigma, 2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide, ERalpha peptide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-07
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4G
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BU of 8c4g by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ132)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2023-01-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BWS
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BU of 8bws by Molmil
Structure of yeast RNA Polymerase III elongation complex at 3.3 A
分子名称: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Nguyen, P.Q, Fernandez-Tornero, C.
登録日2022-12-07
公開日2023-04-05
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
8BZB
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BU of 8bzb by Molmil
co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C04
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BU of 8c04 by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZW
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BU of 8bzw by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
3T0L
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BU of 3t0l by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
9AX6
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BU of 9ax6 by Molmil
Tricomplex of RMC-6236, KRAS G12D, and CypA
分子名称: (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-03-05
公開日2024-04-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
5OMA
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BU of 5oma by Molmil
CH3 chimera of human 14-3-3 sigma with the StARD1 peptide including Ser57
分子名称: 14-3-3 protein sigma,Steroidogenic acute regulatory protein, mitochondrial, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
登録日2017-07-28
公開日2017-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
8F4V
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BU of 8f4v by Molmil
Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Neuronal acetylcholine receptor subunit alpha-7
著者Bondarenko, V, Chen, Q, Tang, P.
登録日2022-11-11
公開日2023-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Elucidation of Ivermectin Binding to alpha 7nAChR and the Induced Channel Desensitization.
Acs Chem Neurosci, 14, 2023
5OK9
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BU of 5ok9 by Molmil
CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with swapped phosphopeptides
分子名称: 14-3-3 protein sigma,Heat shock protein beta-6, DI(HYDROXYETHYL)ETHER
著者Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
登録日2017-07-25
公開日2017-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
5OM0
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BU of 5om0 by Molmil
CH2 chimera of human 14-3-3 sigma with the Gli1 phosphopeptide around Ser640
分子名称: 14-3-3 protein sigma,Zinc finger protein GLI1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION
著者Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
登録日2017-07-28
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
7U9D
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BU of 7u9d by Molmil
Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with PC(16:0/20:4)
分子名称: GLYCEROL, Phosphatidylcholine transfer protein, [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate
著者Druzak, S.A.
登録日2022-03-10
公開日2023-04-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Ligand dependent interaction between PC-TP and PPAR delta mitigates diet-induced hepatic steatosis in male mice.
Nat Commun, 14, 2023
5OKF
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BU of 5okf by Molmil
CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with self-bound phosphopeptides
分子名称: 14-3-3 protein sigma,Heat shock protein beta-6, CADMIUM ION
著者Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
登録日2017-07-25
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
8GCQ
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BU of 8gcq by Molmil
SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Ishigami, I, Yeh, S.-R, Rousseau, D.L.
登録日2023-03-02
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
8C30
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BU of 8c30 by Molmil
Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment
分子名称: 14-3-3 protein sigma, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ...
著者Lau, R, Ottmann, C.
登録日2022-12-23
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献14-3-3/Pyrin complex
To Be Published
8TKF
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BU of 8tkf by Molmil
Human Type 3 IP3 Receptor - Activated State (+IP3/ATP/JD Ca2+)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Paknejad, N, Sapuru, V, Hite, R.K.
登録日2023-07-25
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor.
Nat Commun, 14, 2023
1WUB
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BU of 1wub by Molmil
Crystal structure of the polyisoprenoid-binding protein, TT1927b, from Thermus thermophilus HB8
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, conserved hypothetical protein TT1927b
著者Handa, N, Idaka, M, Terada, T, Hamana, H, Ishizuka, Y, Park, S.-Y, Tame, J.R.H, Doi-Katayama, Y, Hirota, H, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-12-03
公開日2004-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a novel polyisoprenoid-binding protein from Thermus thermophilus HB8
Protein Sci., 14, 2005
8B2W
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BU of 8b2w by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 500 MS
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
著者Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
登録日2022-09-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023

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件を2024-10-09に公開中

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