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1ZPX
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BU of 1zpx by Molmil
NMR Structure of Mcol1-[13-33] from Hydra
分子名称: mini-collagen
著者Milbradt, A.G, Boulegue, C, Moroder, L, Renner, C.
登録日2005-05-18
公開日2005-11-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The Two Cysteine-rich Head Domains of Minicollagen from Hydra Nematocysts Differ in their Cystine Framework and Overall Fold Despite an Identical Cysteine Sequence Pattern.
J.Mol.Biol., 354, 2005
2KY6
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BU of 2ky6 by Molmil
Structure of ARC92VBD/MED25ACID
分子名称: Mediator of RNA polymerase II transcription subunit 25
著者Milbradt, A.G, Sun, Z.J, Selenko, P, Takeuchi, K, Naar, A.M, Wagner, G.
登録日2010-05-14
公開日2011-03-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the VP16 transactivator target in the Mediator.
Nat.Struct.Mol.Biol., 18, 2011
1NBL
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BU of 1nbl by Molmil
NMR Structure of Hellethionin D
分子名称: Hellethionin D
著者Milbradt, A.G, Kerek, F, Moroder, L, Renner, C.
登録日2002-12-03
公開日2003-03-11
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structural Characterization of Hellethionins from Helleborus purpurascens
Biochemistry, 42, 2003
1SOP
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BU of 1sop by Molmil
C-terminal cystine-rich domain of Minicollagen-I from Hydra
分子名称: mini-collagen
著者Milbradt, A.G, Moroder, L, Renner, C.
登録日2004-03-15
公開日2004-04-27
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The structure of the Cys-rich terminal domain of Hydra minicollagen, which is involved in disulfide networks of the nematocyst wall.
J.Biol.Chem., 279, 2004
7AQT
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BU of 7aqt by Molmil
NMR2 structure of BRD4-BD2 in complex with iBET-762
分子名称: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4
著者Orts, J, Torres, F, Milbradt, A.G, Walser, R.
登録日2020-10-23
公開日2022-03-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7B9X
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BU of 7b9x by Molmil
NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
分子名称: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha
著者Orts, J, Torres, F, Milbradt, A.G, Walser, R.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
9F99
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BU of 9f99 by Molmil
Crystal structure of MUS81-EME1 bound by compound 10.
分子名称: 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F9M
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BU of 9f9m by Molmil
Crystal structure of MUS81-EME1 bound by compound 21.
分子名称: 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-08
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.469 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F9A
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BU of 9f9a by Molmil
Crystal structure of MUS81-EME1 bound by compound 12.
分子名称: 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.911 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9EXY
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BU of 9exy by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.
分子名称: 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXW
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BU of 9exw by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.
分子名称: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9EXX
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BU of 9exx by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 18.
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ...
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9F9K
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BU of 9f9k by Molmil
Crystal structure of MUS81-EME1 bound by compound 15.
分子名称: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F9L
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BU of 9f9l by Molmil
Crystal structure of MUS81-EME1 bound by compound 16.
分子名称: 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
著者Collie, G.W.
登録日2024-05-07
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9F98
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BU of 9f98 by Molmil
Crystal structure of MUS81-EME1, apo form.
分子名称: Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81
著者Collie, G.W.
登録日2024-05-07
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
分子名称: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
著者Hargreaves, D.
登録日2024-01-16
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
1SP7
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BU of 1sp7 by Molmil
Structure of the Cys-rich C-terminal domain of Hydra minicollagen
分子名称: mini-collagen
著者Meier, S, Haussinger, D, Pokidysheva, E, Bachinger, H.P, Grzesiek, S.
登録日2004-03-16
公開日2004-05-18
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Determination of a high-precision NMR structure of the minicollagen cysteine rich domain from Hydra and characterization of its disulfide bond formation.
Febs Lett., 569, 2004

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