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6GGC
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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
6GGE
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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
5O1E
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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
5O1C
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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
5O1H
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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
6GGB
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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
6GGF
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STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9328
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
5AOK
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STRUCTURE OF THE P53 CANCER MUTANT Y220C WITH BOUND SMALL MOLECULE PHIKAN7099
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, GLYCEROL, ...
Authors:Joerger, A.C.
Deposit date:2015-09-10
Release date:2015-12-16
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5G4N
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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
5O1G
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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
5AB9
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STRUCTURE OF THE P53 CANCER MUTANT Y220C WITH BOUND SMALL MOLECULE 7- ETHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joerger, A.C.
Deposit date:2015-08-04
Release date:2015-12-16
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5O1D
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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
5G4M
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CRYSTAL STRUCTURE OF THE P53 CANCER MUTANT Y220C IN COMPLEX WITH A MONOFLUORINATED DERIVATIVE OF THE SMALL MOLECULE STABILIZER PHIKAN083
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, ...
Authors:Joerger, A.C., Bauer, M.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
5O1F
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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
5A7B
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STRUCTURE OF THE P53 CANCER Y220C BOUND TO THE STABILIZING SMALL MOLECULE PHIKAN5211
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol
Authors:Joerger, A.C.
Deposit date:2015-07-03
Release date:2015-09-30
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015
5O1I
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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
6GGD
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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
5LAP
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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
5O1B
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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
5O1A
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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
5AOJ
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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
5G4O
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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
5AOL
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STRUCTURE OF THE P53 CANCER MUTANT Y220C WITH BOUND 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
Descriptor:CELLULAR TUMOR ANTIGEN P53, 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, ZINC ION
Authors:Joerger, A.C., Harbrecht, H.
Deposit date:2015-09-10
Release date:2015-12-16
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
6GGA
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P53 CANCER MUTANT Y220C IN COMPLEX WITH SMALL-MOLECULE STABILIZER PK9284
Descriptor:Cellular tumor antigen p53, (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium, ZINC ION
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 (1.550001 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
5ABA
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STRUCTURE OF THE P53 CANCER MUTANT Y220C WITH BOUND SMALL-MOLECULE STABILIZER PHIKAN5149
Descriptor:CELLULAR TUMOR ANTIGEN P53, ZINC ION, 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
Authors:Joerger, A.C.
Deposit date:2015-08-04
Release date:2015-12-16
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
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