5O1I
 
 | | 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
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1TYC
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1TYB
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1TYA
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1TYD
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6GGA
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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: | 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
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6GGC
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6GGF
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6SHZ
 | | 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
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1BRH
 | | BARNASE MUTANT WITH LEU 14 REPLACED BY ALA | | Descriptor: | BARNASE, ZINC ION | | Authors: | Cramer, P.C, Buckle, A, Fersht, A. | | Deposit date: | 1995-03-09 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and energetic responses to cavity-creating mutations in hydrophobic cores: observation of a buried water molecule and the hydrophilic nature of such hydrophobic cavities.
Biochemistry, 35, 1996
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1BRJ
 | | BARNASE MUTANT WITH ILE 88 REPLACED BY ALA | | Descriptor: | BARNASE, ZINC ION | | Authors: | Cramer, P.C, Buckle, A, Fersht, A. | | Deposit date: | 1995-03-09 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and energetic responses to cavity-creating mutations in hydrophobic cores: observation of a buried water molecule and the hydrophilic nature of such hydrophobic cavities.
Biochemistry, 35, 1996
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1CQ4
 | | CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 | | Descriptor: | PROTEIN (SERINE PROTEINASE INHIBITOR 2), SULFATE ION | | Authors: | Chen, Y.W, Stott, K.R. | | Deposit date: | 1998-11-17 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a dimeric chymotrypsin inhibitor 2 mutant containing an inserted glutamine repeat.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1K5R
 | | YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant | | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, Fragment of WBP-1 | | Authors: | Ferguson, N, Pires, J.R, Toepert, F, Johnson, C.M, Pan, Y.P, Volkmer-Engert, R, Schneider-Mergener, J, Daggett, V, Oschkinat, H, Fersht, A.R. | | Deposit date: | 2001-10-12 | | Release date: | 2001-11-02 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2BTG
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2BTH
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6GGD
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6GGB
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3ZME
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6SI2
 | | 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
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6SI4
 | | 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
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6SI0
 | | 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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1DXS
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6SI1
 | | p53 cancer mutant Y220H | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ... | | 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 (1.44 Å) | | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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6SI3
 | | 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
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