6GGC | | P53 CANCER MUTANT Y220C IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9320 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium, ... | | Authors: | Joerger, A.C. | | Deposit date: | 2018-05-03 | | Release date: | 2019-05-22 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
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6SHZ | | P53 CANCER MUTANT Y220C | | Descriptor: | Cellular tumor antigen p53, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Joerger, A.C., Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-08 | | Release date: | 2020-02-19 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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6GGE | | P53 CANCER MUTANT Y220C IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9327 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium | | Authors: | Joerger, A.C., Bauer, M.R. | | Deposit date: | 2018-05-03 | | Release date: | 2019-05-22 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.250005 Å) | | Cite: | A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
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5O1E | | P53 CANCER MUTANT Y220C IM COMPLEX WITH COMPOUND MB577 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, ... | | Authors: | Joerger, A.C., Baud, M.G.J., Bauer, M.R., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O1C | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB184 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid | | Authors: | Joerger, A.C., Baud, M.G.J., Bauer, M.R., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O1H | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB539 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid, ... | | Authors: | Joerger, A.C., Bauer, M.R., Baud, M.G.J., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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6GGB | | P53 CANCER MUTANT Y220C IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9318 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium, ... | | Authors: | Joerger, A.C., Bauer, M.R. | | Deposit date: | 2018-05-03 | | Release date: | 2019-05-22 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
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6GGF | |
5AOK | |
5G4N | | CRYSTAL STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH A DIFLUORINATED DERIVATIVE OF THE SMALL MOLECULE STABILIZER PHIKAN083 | | Descriptor: | CELLULAR TUMOR ANTIGEN P53, ZINC ION, 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, ... | | Authors: | Joerger, A.C., Bauer, M., Jones, R.N., Spencer, J. | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-22 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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5O1G | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB487 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, ... | | Authors: | Joerger, A.C., Baud, M.G.J., Bauer, M.R., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5AB9 | |
5O1D | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB481 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid, ... | | Authors: | Joerger, A.C., Bauer, M.R., Baud, M.G.J., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5G4M | |
5O1F | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB582 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid | | Authors: | Joerger, A.C., Bauer, M.R., Baud, M.G.J., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5A7B | |
5O1I | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB710 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid, ... | | Authors: | Joerger, A.C., Baud, M.G.J., Bauer, M.R., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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6SI3 | | P53 CANCER MUTANT Y220S IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9301 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine, ... | | Authors: | Joerger, A.C., Bauer, M.R., Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-08 | | Release date: | 2020-02-19 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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6GGD | | P53 CANCER MUTANT Y220C IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9324 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium, ... | | Authors: | Joerger, A.C., Bauer, M.R. | | Deposit date: | 2018-05-03 | | Release date: | 2019-05-22 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.400009 Å) | | Cite: | A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
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5LAP | | P53 CANCER MUTANT Y220C WITH CYS182 ALKYLATION | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 5-chloranylpyrimidine-4-carboxylic acid | | Authors: | Joerger, A.C., Bauer, M.R., Fersht, A.R. | | Deposit date: | 2016-06-14 | | Release date: | 2016-08-10 | | Last modified: | 2016-09-14 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | 2-Sulfonylpyrimidines: Mild alkylating agents with anticancer activity toward p53-compromised cells.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5O1B | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB84 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, ... | | Authors: | Joerger, A.C., Bauer, M.R., Baud, M.G.J., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O1A | | P53 CANCER MUTANT Y220C IN COMPLEX WITH COMPOUND MB240 | | Descriptor: | Cellular tumor antigen p53, ZINC ION, [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone, ... | | Authors: | Joerger, A.C., Bauer, M.R., Baud, M.G.J., Fersht, A.R. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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6SI1 | | P53 CANCER MUTANT Y220H | | Descriptor: | Cellular tumor antigen p53, ZINC ION, 1,2-ETHANEDIOL, ... | | Authors: | Joerger, A.C., Kraemer, A., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-08 | | Release date: | 2020-02-19 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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5AOJ | | STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH 2-HYDROXY-3, 5-DIIODO-4-(1H-PYRROL-1-YL)BENZOIC ACID | | Descriptor: | CELLULAR TUMOR ANTIGEN P53, 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, ZINC ION, ... | | Authors: | Joerger, A.C., Baud, M.G., Bauer, M.R., Fersht, A.R. | | Deposit date: | 2015-09-10 | | Release date: | 2015-12-16 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
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5G4O | | CRYSTAL STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH A TRIFLUORINATED DERIVATIVE OF THE SMALL MOLECULE STABILIZER PHIKAN083 | | Descriptor: | CELLULAR TUMOR ANTIGEN P53, ZINC ION, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine | | Authors: | Joerger, A.C., Bauer, M., Baud, M.G.J., Spencer, J. | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-22 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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