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1ZE8
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BU of 1ze8 by Molmil
Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor
Descriptor: 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ...
Authors:Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T.
Deposit date:2005-04-18
Release date:2005-10-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
1EP8
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BU of 1ep8 by Molmil
CRYSTAL STRUCTURE OF A MUTATED THIOREDOXIN, D30A, FROM CHLAMYDOMONAS REINHARDTII
Descriptor: THIOREDOXIN CH1, H-TYPE
Authors:Menchise, V, Corbier, C, Didierjean, C, Saviano, M, Benedetti, E, Jacquot, J.P, Aubry, A.
Deposit date:2000-03-28
Release date:2001-12-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 1ep7 by Molmil
CRYSTAL STRUCTURE OF WT THIOREDOXIN H FROM CHLAMYDOMONAS REINHARDTII
Descriptor: THIOREDOXIN CH1, H-TYPE
Authors:Menchise, V, Corbier, C, Didierjean, C, Saviano, M, Benedetti, E, Jacquot, J.P, Aubry, A.
Deposit date:2000-03-28
Release date:2001-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism.
Biochem.J., 359, 2001
1NR8
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BU of 1nr8 by Molmil
The crystal structure of a D-Lysine-based chiral PNA-DNA duplex
Descriptor: 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
Authors:Menchise, V, De Simone, G, Tedeschi, T, Corradini, R, Sforza, S, Marchelli, R, Capasso, D, Saviano, M, Pedone, C.
Deposit date:2003-01-24
Release date:2003-10-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
2HNC
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BU of 2hnc by Molmil
Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor.
Descriptor: 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Menchise, V, Di Fiore, A, De Simone, G.
Deposit date:2006-07-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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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BU of 2hoc by Molmil
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
Descriptor: 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Menchise, V, Di Fiore, A, De Simone, G.
Deposit date:2006-07-14
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Carboxylesterase, SULFATE ION
Authors:Menchise, V, Alterio, V, De Simone, G.
Deposit date:2006-07-11
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius.
Proteins, 71, 2007
1U4N
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BU of 1u4n by Molmil
Crystal Structure Analysis of the M211S/R215L EST2 mutant
Descriptor: CARBOXYLESTERASE EST2, SULFATE ION
Authors:De Simone, G, Menchise, V, Alterio, V, Mandrich, L, Rossi, M, Manco, G, Pedone, C.
Deposit date:2004-07-26
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of an EST2 Mutant Unveils Structural Insights on the H Group of the Carboxylesterase/Lipase Family.
J.Mol.Biol., 343, 2004
1JJI
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BU of 1jji by Molmil
The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylesterase
Authors:De Simone, G, Menchise, V, Manco, G, Mandrich, L, Sorrentino, N, Lang, D, Rossi, M, Pedone, C.
Deposit date:2001-07-06
Release date:2001-12-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus.
J.Mol.Biol., 314, 2001
1QZ3
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BU of 1qz3 by Molmil
CRYSTAL STRUCTURE OF MUTANT M211S/R215L OF CARBOXYLESTERASE EST2 COMPLEXED WITH HEXADECANESULFONATE
Descriptor: 1-HEXADECANOSULFONIC ACID, CARBOXYLESTERASE EST2
Authors:De Simone, G, Mandrich, L, Menchise, V, Giordano, V, Febbraio, F, Rossi, M, Pedone, C, Manco, G.
Deposit date:2003-09-15
Release date:2004-03-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A substrate-induced switch in the reaction mechanism of a thermophilic esterase: kinetic evidences and structural basis.
J.Biol.Chem., 279, 2004
1NW2
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BU of 1nw2 by Molmil
The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius
Descriptor: ACETATE ION, CACODYLATE ION, THIOREDOXIN, ...
Authors:Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M.
Deposit date:2003-02-05
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius
J.Bacteriol., 185, 2003
1NSW
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BU of 1nsw by Molmil
The Crystal Structure of the K18G Mutant of the thioredoxin from Alicyclobacillus acidocaldarius
Descriptor: THIOREDOXIN
Authors:Bartolucci, S, De Simone, G, Galdiero, S, Improta, R, Menchise, V, Pedone, C, Pedone, E, Saviano, M.
Deposit date:2003-01-28
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 1no9 by Molmil
Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ...
Authors:De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T.
Deposit date:2003-01-16
Release date:2003-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES
Biochemistry, 42, 2003

217705

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