316D
 
 | | Selectivity of F8-actinomycin D for RNA:DNA hybrids and its anti-leukemia activity | | Descriptor: | 8-FLUORO-ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') | | Authors: | Takusagawa, F, Takusagawa, K.T, Carlson, R.G, Weaver, R.F. | | Deposit date: | 1997-03-05 | | Release date: | 1997-11-05 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Selectivity of F8-Actinomycin D for RNA:DNA Hybrids and its Anti-Leukemia Activity.
Bioorg.Med.Chem., 5, 1997
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1BP8
 | | 4:2:1 mithramycin:Mg++:d(ACCCGGGT)2 complex | | Descriptor: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE, 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose-(1-3)-2,6-dideoxy-beta-D-galactopyranose-(1-3)-beta-D-Olivopyranose, 5'-D(*AP*CP*CP*CP*GP*GP*GP*T)-3', ... | | Authors: | Keniry, M.A, Owen, E.A, Shafer, R.H. | | Deposit date: | 1998-08-13 | | Release date: | 1999-08-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional structure of the 4:1 mithramycin:d(ACCCGGGT)2 complex: evidence for an interaction between the E saccharides
Biopolymers, 54, 2000
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1BXH
 | | CONCANAVALIN A COMPLEXED TO METHYL ALPHA1-2 MANNOBIOSIDE | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Moothoo, D.N, Canaan, B, Field, R.A, Naismith, J.H. | | Deposit date: | 1998-10-02 | | Release date: | 1998-10-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Man alpha1-2 Man alpha-OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition.
Glycobiology, 9, 1999
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2WI1
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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3PAG
 | | Crystal structure of the V130D mutant of OXA-24/40 in complex with doripenem | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION | | Authors: | Powers, R.A, Leonard, D.A, Schneider, K.D. | | Deposit date: | 2010-10-19 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
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1G1A
 | | THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM | | Descriptor: | DTDP-D-GLUCOSE 4,6-DEHYDRATASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Allard, S.T.M, Giraud, M.-F, Whitfield, C, Graninger, M, Messner, P, Naismith, J.H. | | Deposit date: | 2000-10-11 | | Release date: | 2001-03-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | The crystal structure of dTDP-D-Glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium, the second enzyme in the dTDP-l-rhamnose pathway.
J.Mol.Biol., 307, 2001
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1FXU
 | | PURINE NUCLEOSIDE PHOSPHORYLASE FROM CALF SPLEEN IN COMPLEX WITH N(7)-ACYCLOGUANOSINE INHIBITOR AND A PHOSPHATE ION | | Descriptor: | 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Luic, M, Bzowska, A, Shugar, D, Saenger, W, Koellner, G. | | Deposit date: | 2000-09-27 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Calf spleen purine nucleoside phosphorylase: structure of its ternary complex with an N(7)-acycloguanosine inhibitor and a phosphate anion.
Acta Crystallogr.,Sect.D, 57, 2001
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1KLF
 | | FIMH ADHESIN-FIMC CHAPERONE COMPLEX WITH D-MANNOSE | | Descriptor: | CHAPERONE PROTEIN FIMC, FIMH PROTEIN, alpha-D-mannopyranose | | Authors: | Hung, C.S, Bouckaert, J. | | Deposit date: | 2001-12-11 | | Release date: | 2002-06-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection.
Mol.Microbiol., 44, 2002
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1VAQ
 | | Crystal structure of the Mg2+-(chromomycin A3)2-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by metal ion | | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | Authors: | Hou, M.H, Robinson, H, Gao, Y.G, Wang, A.H.-J. | | Deposit date: | 2004-02-19 | | Release date: | 2004-06-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the [Mg2+-(chromomycin A3)2]-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by a metal ion
Nucleic Acids Res., 32, 2004
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2VO9
 | | CRYSTAL STRUCTURE OF THE ENZYMATICALLY ACTIVE DOMAIN OF THE LISTERIA MONOCYTOGENES BACTERIOPHAGE 500 ENDOLYSIN PLY500 | | Descriptor: | L-ALANYL-D-GLUTAMATE PEPTIDASE, SULFATE ION, ZINC ION | | Authors: | Korndoerfer, I.P, Kanitz, A, Skerra, A. | | Deposit date: | 2008-02-09 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of the L-Alanoyl-D-Glutamate Endopeptidase Domain of Listeria Bacteriophage Endolysin Ply500 Reveals a New Member of the Las Peptidase Family.
Acta Crystallogr.,Sect.D, 64, 2008
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3FYE
 | | Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state | | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (I) ION, ... | | Authors: | Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S. | | Deposit date: | 2009-01-22 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Biochemistry, 48, 2009
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1VAM
 | | CONCANAVALIN A COMPLEX WITH 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | | Descriptor: | 4-nitrophenyl alpha-D-mannopyranoside, CALCIUM ION, CONCANAVALIN A, ... | | Authors: | Kanellopoulos, P.N, Tucker, P.A, Hamodrakas, S.J. | | Deposit date: | 1996-01-08 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The crystal structure of the complexes of concanavalin A with 4'-nitrophenyl-alpha-D-mannopyranoside and 4'-nitrophenyl-alpha-D-glucopyranoside.
J.Struct.Biol., 116, 1996
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1VAL
 | | CONCANAVALIN A COMPLEX WITH 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | | Descriptor: | 4-nitrophenyl alpha-D-glucopyranoside, CALCIUM ION, CONCANAVALIN A, ... | | Authors: | Kanellopoulos, P.N, Tucker, P.A, Hamodrakas, S.J. | | Deposit date: | 1996-01-08 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of the complexes of concanavalin A with 4'-nitrophenyl-alpha-D-mannopyranoside and 4'-nitrophenyl-alpha-D-glucopyranoside.
J.Struct.Biol., 116, 1996
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1UXX
 | | CBM6ct from Clostridium thermocellum in complex with xylopentaose | | Descriptor: | CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J. | | Deposit date: | 2004-03-01 | | Release date: | 2004-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
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4D97
 | | Salmonella typhimurium D-Cysteine desulfhydrase with D-ser bound at active site | | Descriptor: | BENZAMIDINE, D-SERINE, D-cysteine desulfhydrase | | Authors: | Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2012-01-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
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4NZ3
 | | Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21 21 21 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Deacetylase DA1, ... | | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | | Deposit date: | 2013-12-11 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1GYK
 | | Serum Amyloid P Component co-crystallised with MOBDG at neutral pH | | Descriptor: | CALCIUM ION, METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE, SERUM AMYLOID P-COMPONENT | | Authors: | Thompson, D, Pepys, M.B, Tickle, I, Wood, S.P. | | Deposit date: | 2002-04-25 | | Release date: | 2003-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structures of Crystalline Complexes of Human Serum Amyloid P Component with its Carbohydrate Ligand, the Cyclic Pyruvate Acetal of Galactose
J.Mol.Biol., 320, 2002
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1CP8
 | | NMR STRUCTURE OF DNA (5'-D(TTGGCCAA)2-3') COMPLEXED WITH NOVEL ANTITUMOR DRUG UCH9 | | Descriptor: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE, DNA (5'-D(P*TP*TP*GP*GP*CP*CP*AP*A)-3'), MAGNESIUM ION, ... | | Authors: | Katahira, R, Katahira, M, Yamashita, Y, Ogawa, H, Kyogoku, Y, Yoshida, M. | | Deposit date: | 1999-06-11 | | Release date: | 1999-07-01 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the novel antitumor drug UCH9 complexed with d(TTGGCCAA)2 as determined by NMR.
Nucleic Acids Res., 26, 1998
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1LTJ
 | | Crystal Structure of Recombinant Human Fibrinogen Fragment D with the Peptide Ligands Gly-Pro-Arg-Pro-Amide and Gly-His-Arg-Pro-Amide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen Beta chain, ... | | Authors: | Kostelansky, M.S, Betts, L, Gorkun, O.V, Lord, S.T. | | Deposit date: | 2002-05-20 | | Release date: | 2002-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 2.8 A Crystal Structures of Recombinant Fibrinogen Fragment D with and without Two Peptide Ligands: GHRP Binding to the "b" Site Disrupts Its Nearby Calcium-binding Site.
Biochemistry, 41, 2002
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4NZ5
 | | Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and cadmium ion | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, ACETATE ION, CADMIUM ION, ... | | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | | Deposit date: | 2013-12-11 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.874 Å) | | Cite: | Vibrio cholerae protein
To be Published
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3FYI
 | | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides in the reduced state bound with cyanide | | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (I) ION, ... | | Authors: | Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S. | | Deposit date: | 2009-01-22 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Biochemistry, 48, 2009
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1OF4
 | | Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27 | | Descriptor: | BETA-MANNOSIDASE, CALCIUM ION, GLYCEROL, ... | | Authors: | Boraston, A.B, Revett, T.J, Boraston, C.M, Nurizzo, D, Davies, G.J. | | Deposit date: | 2003-04-07 | | Release date: | 2003-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27
Structure, 11, 2003
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1HG8
 | | Endopolygalacturonase from the phytopathogenic fungus Fusarium moniliforme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOPOLYGALACTURONASE | | Authors: | Federici, L, Caprari, C, Mattei, B, Savino, C, De Lorenzo, G, Cervone, F, Tsernoglou, D. | | Deposit date: | 2000-12-13 | | Release date: | 2001-11-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Requirements of Endopolygalacturonase for the Interaction with Pgip (Polygalacturonase-Inhibiting Protein)
Proc.Natl.Acad.Sci.USA, 98, 2001
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1H49
 | | CRYSTAL STRUCTURE OF THE INACTIVE DOUBLE MUTANT OF THE MAIZE BETA-GLUCOSIDASE ZMGLU1-E191D-F198V IN COMPLEX WITH DIMBOA-GLUCOSIDE | | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, BETA-GLUCOSIDASE, beta-D-glucopyranose | | Authors: | Czjzek, M, Moriniere, J, Verdoucq, L, Bevan, D.R, Henrissat, B, Esen, A. | | Deposit date: | 2003-02-25 | | Release date: | 2003-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutational and Structural Analysis of Aglycone Specificity in Maize and Sorghum Beta-Glucosidases
J.Biol.Chem., 278, 2003
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1GQK
 | | Structure of Pseudomonas cellulosa alpha-D-glucuronidase complexed with glucuronic acid | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-D-GLUCURONIDASE, COBALT (II) ION, ... | | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2001-11-26 | | Release date: | 2002-09-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Structure, 10, 2002
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