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6GGD
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BU of 6ggd by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9324
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.40000892 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGB
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BU of 6ggb by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9318
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
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
6GGA
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BU of 6gga by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9284
Descriptor: (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55000126 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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BU of 6gge by Molmil
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:2024-01-17
Method:X-RAY DIFFRACTION (1.25000513 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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BU of 6ggf by Molmil
Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32000017 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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BU of 5lap by Molmil
p53 cancer mutant Y220C with Cys182 alkylation
Descriptor: 5-chloranylpyrimidine-4-carboxylic acid, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Bauer, M.R, Fersht, A.R.
Deposit date:2016-06-14
Release date:2016-08-10
Last modified:2024-01-10
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
6SI2
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BU of 6si2 by Molmil
p53 cancer mutant Y220S
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
6SI3
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BU of 6si3 by Molmil
p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301
Descriptor: 1,2-ETHANEDIOL, 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
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
5AOJ
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BU of 5aoj by Molmil
Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid
Descriptor: 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
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:2024-01-10
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
5O1D
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BU of 5o1d by Molmil
p53 cancer mutant Y220C in complex with compound MB481
Descriptor: 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1C
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BU of 5o1c by Molmil
p53 cancer mutant Y220C in complex with compound MB184
Descriptor: 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1I
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BU of 5o1i by Molmil
p53 cancer mutant Y220C in complex with compound MB710
Descriptor: 1,2-ETHANEDIOL, 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1F
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BU of 5o1f by Molmil
p53 cancer mutant Y220C in complex with compound MB582
Descriptor: 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1E
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BU of 5o1e by Molmil
p53 cancer mutant Y220C im complex with compound MB577
Descriptor: 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
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
5O1A
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BU of 5o1a by Molmil
p53 cancer mutant Y220C in complex with compound MB240
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1H
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BU of 5o1h by Molmil
p53 cancer mutant Y220C in complex with compound MB539
Descriptor: 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1B
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BU of 5o1b by Molmil
p53 cancer mutant Y220C in complex with compound MB84
Descriptor: 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5O1G
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BU of 5o1g by Molmil
p53 cancer mutant Y220C in complex with compound MB487
Descriptor: 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R.
Deposit date:2017-05-18
Release date:2018-05-09
Last modified:2024-01-17
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
5G4O
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BU of 5g4o by Molmil
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, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION
Authors:Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2024-01-10
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
5G4N
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BU of 5g4n by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083
Descriptor: 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, GLYCEROL, ...
Authors:Joerger, A.C, Bauer, M, Jones, R.N, Spencer, J.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2024-01-10
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
5G4M
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BU of 5g4m by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083
Descriptor: 1,2-ETHANEDIOL, 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ...
Authors:Joerger, A.C, Bauer, M.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2024-01-10
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
6GGC
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BU of 6ggc by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
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
6SHZ
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BU of 6shz by Molmil
p53 cancer mutant Y220C
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
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
6SI4
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BU of 6si4 by Molmil
p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323
Descriptor: 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
6SI0
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BU of 6si0 by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323
Descriptor: 1,2-ETHANEDIOL, 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020

 

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