6SHZ
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![BU of 6shz by Molmil](/molmil-images/mine/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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5A7B
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![BU of 5a7b by Molmil](/molmil-images/mine/5a7b) | |
2WGX
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![BU of 2wgx by Molmil](/molmil-images/mine/2wgx) | |
2VUK
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![BU of 2vuk by Molmil](/molmil-images/mine/2vuk) | |
2X0U
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![BU of 2x0u by Molmil](/molmil-images/mine/2x0u) | STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-amino substituted benzothiazole scaffold | Descriptor: | 6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Kaar, J.L, Basse, N, Fersht, A.R. | Deposit date: | 2009-12-17 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant. Chem.Biol., 17, 2010
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6SI2
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![BU of 6si2 by Molmil](/molmil-images/mine/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
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![BU of 6si4 by Molmil](/molmil-images/mine/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
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![BU of 6si0 by Molmil](/molmil-images/mine/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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6SI1
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![BU of 6si1 by Molmil](/molmil-images/mine/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
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![BU of 6si3 by Molmil](/molmil-images/mine/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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7BE4
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![BU of 7be4 by Molmil](/molmil-images/mine/7be4) | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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7BE5
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![BU of 7be5 by Molmil](/molmil-images/mine/7be5) | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8000524 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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5O1D
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![BU of 5o1d by Molmil](/molmil-images/mine/5o1d) | 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
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5O1C
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![BU of 5o1c by Molmil](/molmil-images/mine/5o1c) | 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
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5O1I
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![BU of 5o1i by Molmil](/molmil-images/mine/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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5O1F
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![BU of 5o1f by Molmil](/molmil-images/mine/5o1f) | 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
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5O1E
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![BU of 5o1e by Molmil](/molmil-images/mine/5o1e) | 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 | Last modified: | 2024-05-08 | 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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5O1G
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![BU of 5o1g by Molmil](/molmil-images/mine/5o1g) | 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
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5O1A
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![BU of 5o1a by Molmil](/molmil-images/mine/5o1a) | 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
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5O1H
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![BU of 5o1h by Molmil](/molmil-images/mine/5o1h) | 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
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5O1B
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![BU of 5o1b by Molmil](/molmil-images/mine/5o1b) | 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
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2XWR
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![BU of 2xwr by Molmil](/molmil-images/mine/2xwr) | |
5LAP
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![BU of 5lap by Molmil](/molmil-images/mine/5lap) | 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
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6YJC
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![BU of 6yjc by Molmil](/molmil-images/mine/6yjc) | Crystal structure of p38alpha in complex with SR154 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-02 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74100935 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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