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PDB: 128 results
3ZME
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BU of 3zme by Molmil
Structure of the p53 core domain mutant Y220C bound to the small molecule PhiKan7242
Descriptor: 2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Wilcken, R.
Deposit date:2013-02-07
Release date:2013-05-08
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Small molecule induced reactivation of mutant p53 in cancer cells.
Nucleic Acids Res., 41, 2013
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
2J1Y
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BU of 2j1y by Molmil
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
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
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
2J1Z
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BU of 2j1z by Molmil
Human p53 core domain mutant M133L-V203A-N239Y-N268D-F270L
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
1HL2
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BU of 1hl2 by Molmil
Crystal structure of N-acetylneuraminate lyase from E. coli mutant L142R in complex with b-hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, N-ACETYLNEURAMINATE LYASE SUBUNIT
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2003-03-12
Release date:2003-05-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mimicking Natural Evolution in Vitro: An N-Acetylneuraminate Lyase Mutant with an Increased Dihydrodipicolinate Synthase Activity
Proc.Natl.Acad.Sci.USA, 100, 2003
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
2BIN
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BU of 2bin by Molmil
human p53 core domain mutant M133L-H168R-V203A-N239Y-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2005-01-25
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations
J.Biol.Chem., 280, 2005
2BIP
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BU of 2bip by Molmil
human p53 core domain mutant M133L-H168R-V203A-N239Y-R249S-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2005-01-25
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations
J.Biol.Chem., 280, 2005
2BIO
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BU of 2bio by Molmil
human p53 core domain mutant M133L-V203A-N239Y-R249S-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2005-01-25
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations
J.Biol.Chem., 280, 2005
2BIQ
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BU of 2biq by Molmil
human p53 core domain mutant T123A-M133L-H168R-V203A-N239Y-R249S- N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2005-01-25
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations
J.Biol.Chem., 280, 2005
2BIM
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BU of 2bim by Molmil
human p53 core domain mutant M133L-V203A-N239Y-N268D-R273H
Descriptor: CELLULAR TUMOR ANTIGEN P53, SULFATE ION, ZINC ION
Authors:Joerger, A.C, Fersht, A.R.
Deposit date:2005-01-25
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations
J.Biol.Chem., 280, 2005
5A7B
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BU of 5a7b by Molmil
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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BU of 5aba by Molmil
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
1UOL
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BU of 1uol by Molmil
Crystal structure of the human p53 core domain mutant M133L/V203A/N239Y/N268D at 1.9 A resolution.
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Allen, M.D, Fersht, A.R.
Deposit date:2003-09-19
Release date:2003-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Superstable Mutant of Human P53 Core Domain. Insights Into the Mechanism of Rescuing Oncogenic Mutations
J.Biol.Chem., 279, 2004
6Q8P
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BU of 6q8p by Molmil
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Descriptor: Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Authors:Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-15
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
2VUK
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BU of 2vuk by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
Descriptor: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Boeckler, F.M, Fersht, A.R.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug.
Proc.Natl.Acad.Sci.USA, 105, 2008
2WGX
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BU of 2wgx by Molmil
HUMAN P53 CORE DOMAIN MUTANT M133L-V203A-Y236F-N239Y-T253I-N268D
Descriptor: CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Khoo, K.H, Fersht, A.R.
Deposit date:2009-04-27
Release date:2009-05-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Stabilising the DNA-Binding Domain of P53 by Rational Design of its Hydrophobic Core.
Protein Eng.Des.Sel., 22, 2009
2X0U
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BU of 2x0u by Molmil
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
6SI2
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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
6SI4
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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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