1JU6
 
 | | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ... | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-23 | | Release date: | 2001-09-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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1GG0
 | | CRYSTAL STRUCTURE ANALYSIS OF KDOP SYNTHASE AT 3.0 A | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, PHOSPHATE ION | | Authors: | Wagner, T, Kretsinger, R.H, Bauerle, R, Tolbert, W.D. | | Deposit date: | 2000-08-04 | | Release date: | 2000-10-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 3-Deoxy-D-manno-octulosonate-8-phosphate synthase from Escherichia coli. Model of binding of phosphoenolpyruvate and D-arabinose-5-phosphate.
J.Mol.Biol., 301, 2000
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1RQY
 | | 9-amino-[N-(2-dimethylamino)proply]-acridine-4-carboxamide bound to d(CGTACG)2 | | Descriptor: | 5'-D(CP*GP*TP*AP*CP*G)-3', 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, ... | | Authors: | Adams, A, Guss, J.M, Denny, W.A, Wakelin, L.P. | | Deposit date: | 2003-12-07 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of 9-amino-[N-(2-dimethylamino)propyl]acridine-4-carboxamide bound to d(CGTACG)(2): a comparison of structures of d(CGTACG)(2) complexed with intercalatorsin the presence of cobalt.
Acta Crystallogr.,Sect.D, 60, 2004
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2MXZ
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1TKK
 | | The Structure of a Substrate-Liganded Complex of the L-Ala-D/L-Glu Epimerase from Bacillus subtilis | | Descriptor: | ALANINE, GLUTAMIC ACID, MAGNESIUM ION, ... | | Authors: | Klenchin, V.A, Schmidt, D.M, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-06-08 | | Release date: | 2004-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: Structure of a Substrate-Liganded Complex of the l-Ala-d/l-Glu Epimerase from Bacillus subtilis(,).
Biochemistry, 43, 2004
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2VCA
 | | Family 89 glycoside hydrolase from Clostridium perfringens in complex with beta-N-acetyl-D-glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ... | | Authors: | Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2007-09-19 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4E8Y
 | | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | | Descriptor: | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, D-beta-D-heptose 7-phosphate kinase, ... | | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | | Deposit date: | 2012-03-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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246D
 | | STRUCTURE OF THE PURINE-PYRIMIDINE ALTERNATING RNA DOUBLE HELIX, R(GUAUAUA)D(C) , WITH A 3'-TERMINAL DEOXY RESIDUE | | Descriptor: | DNA/RNA (5'-R(*GP*UP*AP*UP*AP*UP*AP*)-D(*C)-3'), SODIUM ION | | Authors: | Wahl, M.C, Ban, C, Sekharudu, C, Ramakrishnan, B, Sundaralingam, M. | | Deposit date: | 1996-01-25 | | Release date: | 1996-08-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the purine-pyrimidine alternating RNA double helix, r(GUAUAUA)d(C), with a 3'-terminal deoxy residue.
Acta Crystallogr.,Sect.D, 52, 1996
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1DVL
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4JM0
 | | Structure of Human Cytomegalovirus Immune Modulator UL141 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein UL141 | | Authors: | Nemcovicova, I, Zajonc, D.M. | | Deposit date: | 2013-03-13 | | Release date: | 2014-02-26 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | The structure of cytomegalovirus immune modulator UL141 highlights structural Ig-fold versatility for receptor binding.
Acta Crystallogr.,Sect.D, 70, 2014
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1H41
 | | Pseudomonas cellulosa E292A alpha-D-glucuronidase mutant complexed with aldotriuronic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid, ALPHA-GLUCURONIDASE, ... | | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2002-09-25 | | Release date: | 2003-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Alpha-Glucuronidase,Glca67A,of Cellvibrio Japonicus Utilizes the Carboxylate and Methyl Groups of Aldobiouronic Acid as Important Substrate Recognition Determinants
J.Biol.Chem., 278, 2003
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4H0I
 | | Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D-Mannopyranoside | | Descriptor: | 2D10 scFv, MAGNESIUM ION, methyl alpha-D-mannopyranoside | | Authors: | Tapryal, S, Gaur, V, Kaur, K.J, Salunke, D.M. | | Deposit date: | 2012-09-08 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural evaluation of a mimicry-recognizing paratope: plasticity in antigen-antibody interactions manifests in molecular mimicry.
J.Immunol., 191, 2013
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1DSU
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2OFE
 | | The Crystal structure of Sclerotium rolfsii lectin in complex with N-acetyl-D-glucosamine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2007-01-03 | | Release date: | 2007-05-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin
J.Mol.Biol., 368, 2007
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4ISK
 | | Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ... | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2013-01-16 | | Release date: | 2013-12-25 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
J.Med.Chem., 56, 2013
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2B54
 | | Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305 | | Descriptor: | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE, Cell division protein kinase 2 | | Authors: | Chang, C.-C. | | Deposit date: | 2005-09-27 | | Release date: | 2005-10-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1h-pyraxolo[3,4-d]pyrimidin-4-one inhibitors of cyclin dependent kinases
J.Med.Chem., 47, 2004
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1W3T
 | | Sulfolobus solfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with D-KDGal, D-Glyceraldehyde and pyruvate | | Descriptor: | 2-KETO-3-DEOXY GLUCONATE ALDOLASE, 3-DEOXY-D-LYXO-HEXONIC ACID, D-Glyceraldehyde, ... | | Authors: | Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2004-07-19 | | Release date: | 2004-09-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus.
J. Biol. Chem., 279, 2004
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3ZCT
 | | Rabbit muscle glycogen phosphorylase b in complex with N-(2-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.0 A resolution | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | | Deposit date: | 2012-11-21 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
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2GOT
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4KT2
 | | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol | | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-05-19 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
To be Published
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3ZCS
 | | Rabbit muscle glycogen phosphorylase b in complex with N-(1-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.07 A resolution | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | | Deposit date: | 2012-11-21 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
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1JUJ
 | | Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-24 | | Release date: | 2001-09-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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1XYA
 | | X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | | Descriptor: | HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE | | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-01-03 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis.
Biochemistry, 33, 1994
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1IYH
 | | Crystal structure of hematopoietic prostaglandin D synthase | | Descriptor: | GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION | | Authors: | Inoue, T. | | Deposit date: | 2002-08-26 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of metal activation of human hematopoietic prostaglandin D synthase
NAT.STRUCT.BIOL., 10, 2003
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3RLG
 | | Crystal structure of Loxosceles intermedia phospholipase D isoform 1 H12A mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Giuseppe, P.O, Ullah, A, Veiga, S.S, Murakami, M.T, Arni, R.K. | | Deposit date: | 2011-04-19 | | Release date: | 2011-08-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallization and preliminary X-ray diffraction analysis of a class II phospholipase D from Loxosceles intermedia venom.
Acta Crystallogr.,Sect.F, 67, 2011
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