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1ZE8
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Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor
分子名称: 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ...
著者Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T.
登録日2005-04-18
公開日2005-10-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II
J.Med.Chem., 48, 2005
1NR8
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The crystal structure of a D-Lysine-based chiral PNA-DNA duplex
分子名称: 5'-D(P*AP*GP*TP*GP*AP*TP*CP*TP*AP*C)-3', H-((GPN)*(TPN)*(APN)*(GPN)*(A66)*(T66)*(C66)*(APN)*(CPN)*(TPN))-NH2, MAGNESIUM ION
著者Menchise, V, De Simone, G, Tedeschi, T, Corradini, R, Sforza, S, Marchelli, R, Capasso, D, Saviano, M, Pedone, C.
登録日2003-01-24
公開日2003-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex
Proc.Natl.Acad.Sci.USA, 100, 2003
1EP8
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CRYSTAL STRUCTURE OF A MUTATED THIOREDOXIN, D30A, FROM CHLAMYDOMONAS REINHARDTII
分子名称: THIOREDOXIN CH1, H-TYPE
著者Menchise, V, Corbier, C, Didierjean, C, Saviano, M, Benedetti, E, Jacquot, J.P, Aubry, A.
登録日2000-03-28
公開日2001-12-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism.
Biochem.J., 359, 2001
1EP7
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CRYSTAL STRUCTURE OF WT THIOREDOXIN H FROM CHLAMYDOMONAS REINHARDTII
分子名称: THIOREDOXIN CH1, H-TYPE
著者Menchise, V, Corbier, C, Didierjean, C, Saviano, M, Benedetti, E, Jacquot, J.P, Aubry, A.
登録日2000-03-28
公開日2001-12-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism.
Biochem.J., 359, 2001
2HNC
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Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
分子名称: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Menchise, V, Di Fiore, A, De Simone, G.
登録日2006-07-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
2HOC
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Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor
分子名称: 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Menchise, V, Di Fiore, A, De Simone, G.
登録日2006-07-14
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
2HM7
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Crystal Structure Analysis of the G84S EST2 mutant
分子名称: Carboxylesterase, SULFATE ION
著者Menchise, V, Alterio, V, De Simone, G.
登録日2006-07-11
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius.
Proteins, 71, 2007
1U4N
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Crystal Structure Analysis of the M211S/R215L EST2 mutant
分子名称: CARBOXYLESTERASE EST2, SULFATE ION
著者De Simone, G, Menchise, V, Alterio, V, Mandrich, L, Rossi, M, Manco, G, Pedone, C.
登録日2004-07-26
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of an EST2 Mutant Unveils Structural Insights on the H Group of the Carboxylesterase/Lipase Family.
J.Mol.Biol., 343, 2004
1QZ3
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CRYSTAL STRUCTURE OF MUTANT M211S/R215L OF CARBOXYLESTERASE EST2 COMPLEXED WITH HEXADECANESULFONATE
分子名称: 1-HEXADECANOSULFONIC ACID, CARBOXYLESTERASE EST2
著者De Simone, G, Mandrich, L, Menchise, V, Giordano, V, Febbraio, F, Rossi, M, Pedone, C, Manco, G.
登録日2003-09-15
公開日2004-03-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A substrate-induced switch in the reaction mechanism of a thermophilic esterase: kinetic evidences and structural basis.
J.Biol.Chem., 279, 2004
1JJI
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The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylesterase
著者De Simone, G, Menchise, V, Manco, G, Mandrich, L, Sorrentino, N, Lang, D, Rossi, M, Pedone, C.
登録日2001-07-06
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus.
J.Mol.Biol., 314, 2001
1NW2
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The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius
分子名称: ACETATE ION, CACODYLATE ION, THIOREDOXIN, ...
著者Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M.
登録日2003-02-05
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius
J.Bacteriol., 185, 2003
1NO9
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Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ...
著者De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T.
登録日2003-01-16
公開日2003-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES
Biochemistry, 42, 2003
1NSW
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BU of 1nsw by Molmil
The Crystal Structure of the K18G Mutant of the thioredoxin from Alicyclobacillus acidocaldarius
分子名称: THIOREDOXIN
著者Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M.
登録日2003-01-28
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius
J.Bacteriol., 185, 2003

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