5O1E
 
 | | p53 cancer mutant Y220C im complex with compound MB577 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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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5O1D
 | | p53 cancer mutant Y220C in complex with compound MB481 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB184 | | 分子名称: | 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION | | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB710 | | 分子名称: | 1,2-ETHANEDIOL, 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid, Cellular tumor antigen p53, ... | | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB240 | | 分子名称: | Cellular tumor antigen p53, GLYCEROL, ZINC ION, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB539 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB582 | | 分子名称: | 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, ZINC ION | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB487 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | 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
 | | p53 cancer mutant Y220C in complex with compound MB84 | | 分子名称: | 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | 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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1SMP
 | | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN SERRATIA MARCESCENS METALLO-PROTEASE AND AN INHIBITOR FROM ERWINIA CHRYSANTHEMI | | 分子名称: | CALCIUM ION, ERWINIA CHRYSANTHEMI INHIBITOR, SERRATIA METALLO PROTEINASE, ... | | 著者 | Baumann, U, Bauer, M, Letoffe, S, Delepelaire, P, Wandersman, C. | | 登録日 | 1995-01-13 | | 公開日 | 1996-04-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a complex between Serratia marcescens metallo-protease and an inhibitor from Erwinia chrysanthemi.
J.Mol.Biol., 248, 1995
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6SI2
 | | p53 cancer mutant Y220S | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ... | | 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 (1.5 Å) | | 主引用文献 | 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 | | 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
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6GGD
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6GGB
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6GGA
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6GGE
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6GGF
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1DB2
 | | CRYSTAL STRUCTURE OF NATIVE PLASMINOGEN ACTIVATOR INHIBITOR-1 | | 分子名称: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | | 著者 | Nar, H, Bauer, M, Stassen, J.M, Lang, D, Gils, A, Declerck, P. | | 登録日 | 1999-11-02 | | 公開日 | 1999-11-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Plasminogen activator inhibitor 1. Structure of the native serpin, comparison to its other conformers and implications for serpin inactivation.
J.Mol.Biol., 297, 2000
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4UQO
 | | RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ... | | 著者 | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2014-06-24 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
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6Z0C
 | | Structure of in silico modelled artificial Maquette-3 protein | | 分子名称: | Maquette-3, POTASSIUM ION | | 著者 | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | | 登録日 | 2020-05-08 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
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6Z35
 | | De-novo Maquette 2 protein with buried ion-pair | | 分子名称: | Maquette 2-1ip | | 著者 | Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | | 登録日 | 2020-05-19 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Design of buried charged networks in artificial proteins.
Nat Commun, 12, 2021
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7U6J
 | | HalB with lysine and succinate | | 分子名称: | Halogenase B, LYSINE, SUCCINIC ACID | | 著者 | Sumida, K.H, Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | | 登録日 | 2022-03-04 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7U6H
 | | HalD with ornithine and alpha-ketoglutarate | | 分子名称: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Swenson, C.V, Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | | 登録日 | 2022-03-04 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7JSD
 | | Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine | | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ... | | 著者 | Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y. | | 登録日 | 2020-08-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Reaction pathway engineering converts a radical hydroxylase into a halogenase.
Nat.Chem.Biol., 18, 2022
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5OGI
 | | Complex of a binding protein and human adenovirus C 5 hexon | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | | 登録日 | 2017-07-13 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
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