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2J1Y
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Human p53 core domain mutant M133L-V203A-N239Y-G245S-N268D
Descriptor: CALCIUM ION, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2J20
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BU of 2j20 by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-N268D-R273C
Descriptor: CELLULAR TUMOR ANTIGEN P53, SULFATE ION, ZINC ION
Authors:Joerger, A.C, Ang, H.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2J1X
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BU of 2j1x by Molmil
Human p53 core domain mutant M133L-V203A-Y220C-N239Y-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2J1W
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BU of 2j1w by Molmil
Human p53 core domain mutant M133L-V143A-V203A-N239Y-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2J21
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BU of 2j21 by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-N268D-R282W
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2006-08-15
Release date:2006-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
2MEJ
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BU of 2mej by Molmil
Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints
Descriptor: Bcl-2-like protein 1, Cellular tumor antigen p53, ZINC ION
Authors:Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
Deposit date:2013-09-25
Release date:2014-04-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014
5MCV
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BU of 5mcv by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC1)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ...
Authors:Golovenko, D, Rozenberg, H, Shakked, Z.
Deposit date:2016-11-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
5MCW
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New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2)
Descriptor: Cellular tumor antigen p53, DNA, FORMYL GROUP, ...
Authors:Golovenko, D, Rozenberg, H, Shakked, Z.
Deposit date:2016-11-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
5MF7
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New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-GADD45)
Descriptor: Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, DNA, ...
Authors:Rozenberg, H, Diskin-Posner, Y, Golovenko, D, Shakked, Z.
Deposit date:2016-11-17
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
5MCT
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BU of 5mct by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG1)
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ...
Authors:Golovenko, D, Rozenberg, H, Shakked, Z.
Deposit date:2016-11-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.446 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
5MG7
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New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-p53R2)
Descriptor: Cellular tumor antigen p53, DNA, ZINC ION
Authors:Rozenberg, H, Braeuning, B, Golovenko, D, Shakked, Z.
Deposit date:2016-11-21
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
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
6ZNC
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BU of 6znc by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I)
Descriptor: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
Authors:Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z.
Deposit date:2020-07-06
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
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
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
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
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
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
5A7B
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Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
Descriptor: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C.
Deposit date:2015-07-03
Release date:2015-09-30
Last modified:2024-01-10
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
5AB9
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BU of 5ab9 by Molmil
Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole
Descriptor: 7-ethyl-3-(piperidin-4-yl)-1H-indole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
Authors:Joerger, A.C.
Deposit date:2015-08-04
Release date:2015-12-16
Last modified:2024-01-10
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
5ABA
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Structure of the p53 cancer mutant Y220C with bound small-molecule stabilizer PhiKan5149
Descriptor: 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol], CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C.
Deposit date:2015-08-04
Release date:2015-12-16
Last modified:2024-01-10
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
7B46
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BU of 7b46 by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (P1)
Descriptor: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, ACETATE ION, ...
Authors:Degtjarik, O, Rozenberg, H, Shakked, Z.
Deposit date:2020-12-02
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021

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