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6SI1
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BU of 6si1 by Molmil
p53 cancer mutant Y220H
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
著者Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-08-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
9FL3
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BU of 9fl3 by Molmil
Crystal structure of IL-17A in complex with compound 26
分子名称: (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A
著者Rondeau, J.M, Lehmann, S, Scheufler, C.
登録日2024-06-04
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
9FKX
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BU of 9fkx by Molmil
Crystal structure of IL-17A in complex with compound 18
分子名称: (4~{S})-1-[(~{R})-[2-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[[5-[1,1-bis(fluoranyl)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropyl-methyl]-4-(trifluoromethyl)imidazolidin-2-one, Interleukin-17A
著者Rondeau, J.M, Lehmann, S, Scheufler, C.
登録日2024-06-04
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.048 Å)
主引用文献Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
8ROY
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BU of 8roy by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24
分子名称: 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
登録日2024-01-12
公開日2024-04-03
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
8ROX
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BU of 8rox by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12
分子名称: 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
登録日2024-01-12
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
5ABA
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BU of 5aba by Molmil
Structure of the p53 cancer mutant Y220C with bound small-molecule stabilizer PhiKan5149
分子名称: 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol], CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C.
登録日2015-08-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AB9
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BU of 5ab9 by Molmil
Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole
分子名称: 7-ethyl-3-(piperidin-4-yl)-1H-indole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C.
登録日2015-08-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5A7B
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BU of 5a7b by Molmil
Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
分子名称: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C.
登録日2015-07-03
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015
5AOL
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BU of 5aol by Molmil
Structure of the p53 cancer mutant Y220C with bound 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
分子名称: 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Harbrecht, H.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOK
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BU of 5aok by Molmil
Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099
分子名称: 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOM
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BU of 5aom by Molmil
Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883
分子名称: CELLULAR TUMOR ANTIGEN P53, GLYCEROL, N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide, ...
著者Joerger, A.C, Boeckler, F.M, Wilcken, R.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOI
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BU of 5aoi by Molmil
Structure of the p53 cancer mutant Y220C in complex with an indole- based small molecule
分子名称: 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C, Wilcken, R.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
4PL1
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BU of 4pl1 by Molmil
X-ray crystal structure of C118A RlmN from Escherichia coli with S-adenosylmethionine
分子名称: Dual-specificity RNA methyltransferase RlmN, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE
著者Boal, A.K, Rosenzweig, A.C.
登録日2014-05-15
公開日2014-05-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Characterization of a cross-linked protein-nucleic acid substrate radical in the reaction catalyzed by RlmN.
J.Am.Chem.Soc., 136, 2014
4PL2
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BU of 4pl2 by Molmil
X-ray crystal structure of C118A RlmN from Escherichia coli
分子名称: Dual-specificity RNA methyltransferase RlmN, IRON/SULFUR CLUSTER
著者Boal, A.K, Rosenzweig, A.C.
登録日2014-05-15
公開日2014-05-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of a cross-linked protein-nucleic acid substrate radical in the reaction catalyzed by RlmN.
J.Am.Chem.Soc., 136, 2014
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