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6SHZ
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BU of 6shz by Molmil
p53 cancer mutant Y220C
分子名称: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2019-08-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献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
分子名称: 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, GLYCEROL, ...
著者Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-08-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 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, ...
著者Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-08-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, ...
著者Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC)
登録日2019-08-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
5J8X
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CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C
分子名称: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA
著者Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J.
登録日2016-04-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
6SI1
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BU of 6si1 by Molmil
p53 cancer mutant Y220H
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
著者Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-08-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
5ENH
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BU of 5enh by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENB
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BU of 5enb by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENI
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Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENJ
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Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening)
分子名称: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENC
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BU of 5enc by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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
分子名称: 7-ethyl-3-(piperidin-4-yl)-1H-indole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C.
登録日2015-08-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献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
分子名称: 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol], CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C.
登録日2015-08-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOI
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BU of 5aoi by Molmil
Structure of the p53 cancer mutant Y220C in complex with an indole- based small molecule
分子名称: 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C, Wilcken, R.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOM
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Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883
分子名称: CELLULAR TUMOR ANTIGEN P53, GLYCEROL, N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide, ...
著者Joerger, A.C, Boeckler, F.M, Wilcken, R.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOL
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Structure of the p53 cancer mutant Y220C with bound 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
分子名称: 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Harbrecht, H.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
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
分子名称: 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C, Baud, M.G, Bauer, M.R, Fersht, A.R.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5AOK
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Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099
分子名称: 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
著者Joerger, A.C.
登録日2015-09-10
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
2FX4
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BU of 2fx4 by Molmil
Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex
分子名称: 4-PIPERIDINEBUTYRATE, CALCIUM ION, trypsin
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FX6
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bovine trypsin complexed with 2-aminobenzamidazole
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FWW
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human beta-tryptase II complexed with 4-piperidinebutyrate to make acylenzyme
分子名称: 4-PIPERIDINEBUTYRATE, Tryptase beta-2
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FPZ
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Human tryptase with 2-amino benzimidazole
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-17
公開日2006-03-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FS8
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Human beta-tryptase II with inhibitor CRA-29382
分子名称: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-21
公開日2006-03-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FS9
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Human beta tryptase II with inhibitor CRA-28427
分子名称: ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-21
公開日2006-03-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FXR
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human beta tryptase II complexed with activated ketone inhibitor CRA-29382
分子名称: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
著者Katz, B.A.
登録日2006-02-06
公開日2006-02-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006

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