5ADO
 
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - Light chain S35R mutant | | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 | | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | | Deposit date: | 2015-08-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites.
Sci.Adv., 2, 2016
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3BL0
 | | Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | | Descriptor: | 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Temperini, C, Supuran, C.T, Blackburn, G.M. | | Deposit date: | 2007-12-10 | | Release date: | 2008-01-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
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5ADP
 | | Crystal structure of the A.17 antibody FAB fragment - Light chain S35R mutant | | Descriptor: | FAB A.17 | | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | | Deposit date: | 2015-08-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites.
Sci.Adv., 2, 2016
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6S0J
 | | Structure of Zika virus NS3 helicase in complex with ADP-MgF3(H2O)- | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ... | | Authors: | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | | Deposit date: | 2019-06-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New MFx transition state analog reveals the molecular mechanism of ATP hydrolysis by the Zika virus NS3 helicase
To Be Published
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6RWZ
 | | Structure of Zika virus NS3 helicase in complex with ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MANGANESE (II) ION, ... | | Authors: | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | | Deposit date: | 2019-06-07 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | New MFx transition state analog reveals molecular mechanism of NTP hydrolysis by the Zika virus NS3 helicase
To Be Published
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6RVU
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) | | Descriptor: | 1,2-ETHANEDIOL, Lethal Factor 1 (BLF1) | | Authors: | Mobbs, G.W, Aziz, A.A, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2019-06-01 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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1FHI
 | | SUBSTRATE ANALOG (IB2) COMPLEX WITH THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT | | Descriptor: | FRAGILE HISTIDINE TRIAD PROTEIN, P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE | | Authors: | Pace, H.C, Garrison, P.N, Barnes, L.D, Draganescu, A, Rosler, A, Blackburn, G.M, Siprashvili, Z, Croce, C.M, Huebner, K, Brenner, C. | | Deposit date: | 1997-12-11 | | Release date: | 1998-06-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Genetic, biochemical, and crystallographic characterization of Fhit-substrate complexes as the active signaling form of Fhit.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1KTG
 | | Crystal Structure of a C. elegans Ap4A Hydrolase Binary Complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, Diadenosine Tetraphosphate Hydrolase, HYDROXIDE ION, ... | | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | | Deposit date: | 2002-01-16 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
Structure, 10, 2002
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7PQ0
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B | | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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7PPZ
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form A | | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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1RZY
 | | Crystal structure of rabbit Hint complexed with N-ethylsulfamoyladenosine | | Descriptor: | 5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE, Histidine triad nucleotide-binding protein 1 | | Authors: | Krakowiak, A.K, Pace, H.C, Blackburn, G.M, Adams, M, Mekhalfia, A, Kaczmarek, R, Baraniak, J, Stec, W.J, Brenner, C. | | Deposit date: | 2003-12-29 | | Release date: | 2004-03-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical, crystallographic, and mutagenic characterization of hint, the AMP-lysine hydrolase, with novel substrates and inhibitors
J.Biol.Chem., 279, 2004
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1X82
 | | CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM PYROCOCCUS FURIOSUS WITH BOUND 5-phospho-D-arabinonate | | Descriptor: | 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase | | Authors: | Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2004-08-17 | | Release date: | 2004-10-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
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1X7N
 | | The crystal structure of Pyrococcus furiosus phosphoglucose isomerase with bound 5-phospho-D-arabinonate and Manganese | | Descriptor: | 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, MANGANESE (II) ION | | Authors: | Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2004-08-16 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
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1X8E
 | | Crystal structure of Pyrococcus furiosus phosphoglucose isomerase free enzyme | | Descriptor: | Glucose-6-phosphate isomerase | | Authors: | Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2004-08-18 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
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2AIO
 | | Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam | | Descriptor: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J. | | Deposit date: | 2005-07-30 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005
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1H3I
 | | Crystal structure of the Histone Methyltransferase SET7/9 | | Descriptor: | HISTONE H3 LYSINE 4 SPECIFIC METHYLTRANSFERASE, MAGNESIUM ION | | Authors: | Wilson, J.R, Jing, C, Walker, P.A, Martin, S.R, Howell, S.A, Blackburn, G.M, Gamblin, S.J, Xiao, B. | | Deposit date: | 2002-09-04 | | Release date: | 2002-11-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Functional Analysis of the Histone Methyltransferase Set7/9
Cell(Cambridge,Mass.), 111, 2002
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1J98
 | | The 1.2 Angstrom Structure of Bacillus subtilis LuxS | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-05-24 | | Release date: | 2001-06-06 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The 1.2 A Structure of a Novel Quorum-Sensing Protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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1JQW
 | | THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-08-09 | | Release date: | 2001-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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1JVI
 | | THE 2.2 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/RIBOSILHOMOCYSTEINE COMPLEX | | Descriptor: | (2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ... | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-08-30 | | Release date: | 2001-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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1EMH
 | | CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO UNCLEAVED SUBSTRATE-CONTAINING DNA | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*(P2U)P*AP*TP*CP*TP*T)-3'), URACIL-DNA GLYCOSYLASE | | Authors: | Parikh, S.S, Slupphaug, G, Krokan, H.E, Blackburn, G.M, Tainer, J.A. | | Deposit date: | 2000-03-16 | | Release date: | 2000-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Uracil-DNA glycosylase-DNA substrate and product structures: conformational strain promotes catalytic efficiency by coupled stereoelectronic effects.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1KT9
 | | Crystal Structure of C. elegans Ap4A Hydrolase | | Descriptor: | Diadenosine Tetraphosphate Hydrolase | | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | | Deposit date: | 2002-01-15 | | Release date: | 2002-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
Structure, 10, 2002
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1EMJ
 | | URACIL-DNA GLYCOSYLASE BOUND TO DNA CONTAINING A 4'-THIO-2'DEOXYURIDINE ANALOG PRODUCT | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*(ASU)P*AP*TP*CP*TP*T)-3'), URACIL, ... | | Authors: | Parikh, S.S, Walcher, G, Jones, G.D, Slupphaug, G, Krokan, H.E, Blackburn, G.M, Tainer, J.A. | | Deposit date: | 2000-03-16 | | Release date: | 2000-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Uracil-DNA glycosylase-DNA substrate and product structures: conformational strain promotes catalytic efficiency by coupled stereoelectronic effects.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F3Y
 | | SOLUTION STRUCTURE OF THE NUDIX ENZYME DIADENOSINE TETRAPHOSPHATE HYDROLASE FROM LUPINUS ANGUSTIFOLIUS L. | | Descriptor: | DIADENOSINE 5',5'''-P1,P4-TETRAPHOSPHATE HYDROLASE | | Authors: | Swarbrick, J.D, Bashtannyk, T, Maksel, D, Zhang, X.R, Blackburn, G.M, Gayler, K.R, Gooley, P.R. | | Deposit date: | 2000-06-06 | | Release date: | 2001-06-06 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional structure of the Nudix enzyme diadenosine tetraphosphate hydrolase from Lupinus angustifolius L.
J.Mol.Biol., 302, 2000
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1MIE
 | | Crystal Structure Of The Fab Fragment of Esterolytic Antibody MS5-393 | | Descriptor: | IMMUNOGLOBULIN MS5-393 | | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | | Deposit date: | 2002-08-23 | | Release date: | 2003-09-23 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
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1MJJ
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX OF THE FAB FRAGMENT OF ESTEROLYTIC ANTIBODY MS6-12 AND A TRANSITION-STATE ANALOG | | Descriptor: | IMMUNOGLOBULIN MS6-12, N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE, SULFATE ION | | Authors: | Ruzheinikov, S.N, Muranova, T.A, Sedelnikova, S.E, Partridge, L.J, Blackburn, G.M, Murray, I.A, Kakinuma, H, Takashi, N, Shimazaki, K, Sun, J, Nishi, Y, Rice, D.W. | | Deposit date: | 2002-08-28 | | Release date: | 2003-09-23 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity
J.Mol.Biol., 332, 2003
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