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1AUZ
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BU of 1auz by Molmil
SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS, NMR, 24 STRUCTURES
分子名称: SPOIIAA
著者Kovacs, H, Comfort, D, Lord, M, Campbell, I.D, Yudkin, M.D.
登録日1997-09-08
公開日1998-07-01
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Solution structure of SpoIIAA, a phosphorylatable component of the system that regulates transcription factor sigmaF of Bacillus subtilis.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BHI
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BU of 1bhi by Molmil
STRUCTURE OF TRANSACTIVATION DOMAIN OF CRE-BP1/ATF-2, NMR, 20 STRUCTURES
分子名称: CRE-BP1
著者Nagadoi, A, Nakazawa, K, Uda, H, Maekawa, T, Ishii, S, Nishimura, Y.
登録日1998-06-09
公開日1999-06-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the transactivation domain of ATF-2 comprising a zinc finger-like subdomain and a flexible subdomain.
J.Mol.Biol., 287, 1999
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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BU of 8byg by Molmil
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
7NR4
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BU of 7nr4 by Molmil
X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor
分子名称: (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Steuber, H.
登録日2021-03-02
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*.
Chemmedchem, 16, 2021
8CAF
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BU of 8caf by Molmil
N8C_Fab3b in complex with NEDD8-CUL1(WHB)
分子名称: Cullin-1, Fab Heavy Chain, Fab Light Chain, ...
著者Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A.
登録日2023-01-24
公開日2023-09-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Activity-based profiling of cullin-RING E3 networks by conformation-specific probes.
Nat.Chem.Biol., 19, 2023
1BI8
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BU of 1bi8 by Molmil
MECHANISM OF G1 CYCLIN DEPENDENT KINASE INHIBITION FROM THE STRUCTURES CDK6-P19INK4D INHIBITOR COMPLEX
分子名称: CYCLIN-DEPENDENT KINASE 6, CYCLIN-DEPENDENT KINASE INHIBITOR
著者Russo, A.A, Tong, L, Lee, J.O, Jeffrey, P.D, Pavletich, N.P.
登録日1998-06-22
公開日1999-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16INK4a.
Nature, 395, 1998
8C2E
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BU of 8c2e by Molmil
Structure of 14-3-3 sigma delta C with electrophilic peptide 4IEA-5
分子名称: 14-3-3 protein sigma, ARG-SER-ALA-SEP-CYS-PRO-SER-LEU, CHLORIDE ION, ...
著者van den Oetelaar, M.C.M, Ottmann, C.
登録日2022-12-22
公開日2023-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A simple method for developing lysine targeted covalent protein reagents.
Nat Commun, 14, 2023
8C2F
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BU of 8c2f by Molmil
Structure of 14-3-3 sigma delta C with electrophilic peptide 3MHR-5
分子名称: 14-3-3 protein sigma, ARG-ALA-HIS-SEP-CYS-PRO-ALA-SER-LEU-GLN, CHLORIDE ION, ...
著者van den Oetelaar, M.C.M, Ottmann, C.
登録日2022-12-22
公開日2023-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A simple method for developing lysine targeted covalent protein reagents.
Nat Commun, 14, 2023
7NVQ
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BU of 7nvq by Molmil
Aerosol-soaked human cdk2 crystals with Staurosporine
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
著者Ross, B, Huber, R.
登録日2021-03-15
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
著者Somsen, B.A, Ottmann, C.
登録日2021-03-25
公開日2021-10-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
8BZF
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BU of 8bzf by Molmil
FC-J acetonide stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin J-acetonide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BYX
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BU of 8byx by Molmil
HOXB13-homodimer bound to DNA
分子名称: DNA, Homeobox protein Hox-B13
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2022-12-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献HOXB13-homodimer bound to DNA
To Be Published
8BZC
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BU of 8bzc by Molmil
co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Linked-fragment stabilizers of 14-3-3 protein-protein interactions
To Be Published
8BZM
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BU of 8bzm by Molmil
FOXK1-ELF1-heterodimer bound to DNA
分子名称: DNA, ETS-related transcription factor Elf-1, Forkhead box protein K1, ...
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2022-12-15
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献FOXK1-ELF1_heterodimer bound to DNA
To Be Published
7O7K
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BU of 7o7k by Molmil
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7I
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BU of 7o7i by Molmil
Crystal structure of the human HIPK3 kinase domain
分子名称: 1,2-ETHANEDIOL, Homeodomain-interacting protein kinase 3
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
8C28
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BU of 8c28 by Molmil
14-3-3 in complex with PyrinpS208pS242
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyrin
著者Lau, R, Ottmann, C, Hann, M.
登録日2022-12-21
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献14-3-3/Pyrin complex
To Be Published
7O7J
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BU of 7o7j by Molmil
Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
分子名称: Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
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
8C2Y
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BU of 8c2y by Molmil
14-3-3 in complex with Pyrinp pS242
分子名称: 14-3-3 protein sigma, Pyrin pS242 peptide
著者Lau, R, Ottmann, C, Hann, M.
登録日2022-12-23
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献14-3-3/Pyrin complex
To Be Published
8COG
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BU of 8cog by Molmil
Human arginylated beta-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Pinto, C.S, Bakker, S.E, Suchenko, A, Hussain, H, Hatano, T, Sampath, K, Chinthalapudi, K, Mishima, M, Balasubramanian, M.
登録日2023-02-28
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.499 Å)
主引用文献Structure and physiological investigation of human arginylated beta-actin
To Be Published
7NUE
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BU of 7nue by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML736
分子名称: Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
著者Bonnefond, L, Cavarelli, J.
登録日2021-03-11
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7NUD
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BU of 7nud by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML734
分子名称: Protein arginine N-methyltransferase 6, methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
著者Bonnefond, L, Cavarelli, J.
登録日2021-03-11
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
1BUZ
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BU of 1buz by Molmil
SOLUTION STRUCTURE OF SPOIIAA, A PHOSPHORYLATABLE COMPONENT OF THE SYSTEM THAT REGULATES TRANSCRIPTION FACTOR SIGMA-F OF BACILLUS SUBTILIS NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: SPOIIAA
著者Kovacs, H, Comfort, D, Lord, M, Campbell, I.D, Yudkin, M.D.
登録日1997-09-08
公開日1998-07-01
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Solution structure of SpoIIAA, a phosphorylatable component of the system that regulates transcription factor sigmaF of Bacillus subtilis.
Proc.Natl.Acad.Sci.USA, 95, 1998

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