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7QPO
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BU of 7qpo by Molmil
Crystal structure of human trans-3-Hydroxy-L-proline dehydratase
Descriptor: Trans-3-hydroxy-L-proline dehydratase
Authors:Ferrario, E, Miggiano, R, Rizzi, M, Ferraris, D.M.
Deposit date:2022-01-05
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The integration of AlphaFold-predicted and crystal structures of human trans -3-hydroxy-l-proline dehydratase reveals a regulatory catalytic mechanism.
Comput Struct Biotechnol J, 20, 2022
6T3E
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BU of 6t3e by Molmil
Structure of Thermococcus litoralis Delta(1)-pyrroline-2-carboxylate reductase in complex with NADH and L-proline
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DELTA1-pyrroline-2-carboxylate reductase, PROLINE
Authors:Ferraris, D.M, Miggiano, R, Ferrario, E, Rizzi, M.
Deposit date:2019-10-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Thermococcus litoralis Delta1-pyrroline-2-carboxylate reductase in complex with NADH and L-proline.
Acta Crystallogr D Struct Biol, 76, 2020
8PMR
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BU of 8pmr by Molmil
NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
Deposit date:2023-06-29
Release date:2023-11-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
8PMS
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BU of 8pms by Molmil
NADase from Aspergillus fumigatus with replaced C-terminus from Neurospora crassa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
Deposit date:2023-06-29
Release date:2023-11-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
8R17
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BU of 8r17 by Molmil
Crystal structure of Neurospora crassa NADase with modified C-terminus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ...
Authors:Kallio, J.P, Ferrario, E, Ziegler, M.
Deposit date:2023-11-01
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
8R15
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BU of 8r15 by Molmil
Crystal structure of Fusarium oxysporum NADase I
Descriptor: GLYCEROL, TNT domain-containing protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
Deposit date:2023-11-01
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
1DF3
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BU of 1df3 by Molmil
SOLUTION STRUCTURE OF A RECOMBINANT MOUSE MAJOR URINARY PROTEIN
Descriptor: MAJOR URINARY PROTEIN
Authors:Luecke, C, Franzoni, L, Abbate, F, Loehr, F, Ferrari, E, Sorbi, R.T, Rueterjans, H, Spisni, A.
Deposit date:1999-11-17
Release date:2000-05-10
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of a recombinant mouse major urinary protein.
Eur.J.Biochem., 266, 1999
1C2P
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BU of 1c2p by Molmil
HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE
Descriptor: RNA-DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Cable, M.B, Ferrari, E, Hong, Z, Mannarino, A.F, Weber, P.C.
Deposit date:1999-07-26
Release date:2000-04-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site.
Nat.Struct.Biol., 6, 1999
2BIC
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BU of 2bic by Molmil
The solution structure of the recombinant elicitor protein PcF from the oomycete pathogen P. cactorum
Descriptor: PHYTOTOXIC PROTEIN PCF
Authors:Nicastro, G, Orsomando, G, Desario, F, Ferrari, E, Manconi, L, Spisni, A, Ruggieri, S.
Deposit date:2005-01-20
Release date:2006-06-28
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Solution Structure of the Phytotoxic Protein Pcf: The First Characterized Member of the Phytophthora Pcf Toxin Family.
Protein Sci., 18, 2009
1JV4
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BU of 1jv4 by Molmil
Crystal structure of recombinant major mouse urinary protein (rmup) at 1.75 A resolution
Descriptor: 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, Major urinary protein 2
Authors:Kuser, P.R, Franzoni, L, Ferrari, E, Spisni, A, Polikarpov, I.
Deposit date:2001-08-28
Release date:2001-12-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-ray structure of a recombinant major urinary protein at 1.75 A resolution. A comparative study of X-ray and NMR-derived structures.
Acta Crystallogr.,Sect.D, 57, 2001
2K6L
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BU of 2k6l by Molmil
The solution structure of XACb0070 from Xanthonomas axonopodis pv citri reveals this new protein is a member of the RHH family of transcriptional repressors
Descriptor: Putative uncharacterized protein
Authors:Gallo, M, Cicero, D.O, Amata, I, Eliseo, T, Paci, M, Spisni, A, Ferrari, E, Pertinhez, T.A, Farah, C.S.
Deposit date:2008-07-11
Release date:2009-06-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure reveals that XACb0070 from the plant pathogen Xanthomonas citri belongs to the RHH superfamily of bacterial DNA-binding proteins
To be Published
3U4R
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BU of 3u4r by Molmil
Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides
Descriptor: 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase
Authors:Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
Deposit date:2011-10-10
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
3U4O
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BU of 3u4o by Molmil
Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides
Descriptor: 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
Deposit date:2011-10-10
Release date:2011-12-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
4MZ4
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BU of 4mz4 by Molmil
Discovery of an Irreversible HCV NS5B Polymerase Inhibitor
Descriptor: 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A.
Deposit date:2013-09-29
Release date:2013-12-11
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
1ST2
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BU of 1st2 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION
Descriptor: CALCIUM ION, SUBTILISIN BPN', SULFATE ION
Authors:Bott, R.
Deposit date:1990-03-21
Release date:1991-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The three-dimensional structure of Bacillus amyloliquefaciens subtilisin at 1.8 A and an analysis of the structural consequences of peroxide inactivation.
J.Biol.Chem., 263, 1988
3LKH
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BU of 3lkh by Molmil
Inhibitors of Hepatitis C Virus Polymerase: Synthesis and Characterization of Novel 6-Fluoro-N-[2-Hydroxy-1(S)-Benzamides
Descriptor: 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide, RNA-directed RNA polymerase
Authors:Lesburg, C.A.
Deposit date:2010-01-27
Release date:2010-03-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
2ST1
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BU of 2st1 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION
Descriptor: CALCIUM ION, SUBTILISIN BPN', SULFATE ION
Authors:Bott, R.
Deposit date:1990-05-11
Release date:1991-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of Bacillus amyloliquefaciens subtilisin at 1.8 A and an analysis of the structural consequences of peroxide inactivation.
J.Biol.Chem., 263, 1988
3SKE
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BU of 3ske by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKH
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BU of 3skh by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKA
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BU of 3ska by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3U99
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BU of 3u99 by Molmil
The experimental X-ray structure of the new diheme cytochrome type c from Shewanella baltica OS155 sb-DHC
Descriptor: Diheme cytochrome c, HEME C
Authors:De March, M, Di Rocco, G, Geremia, S.
Deposit date:2011-10-18
Release date:2012-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.146 Å)
Cite:High-resolution crystal structure of the recombinant diheme cytochrome c from Shewanella baltica (OS155).
J.Biomol.Struct.Dyn., 33, 2015

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