4O5X
 
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine. | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
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195D
 | | X-RAY STRUCTURES OF THE B-DNA DODECAMER D(CGCGTTAACGCG) WITH AN INVERTED CENTRAL TETRANUCLEOTIDE AND ITS NETROPSIN COMPLEX | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*G)-3'), NETROPSIN | | Authors: | Balendiran, K, Rao, S.T, Sekharudu, C.Y, Zon, G, Sundaralingam, M. | | Deposit date: | 1994-10-04 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray structures of the B-DNA dodecamer d(CGCGTTAACGCG) with an inverted central tetranucleotide and its netropsin complex.
Acta Crystallogr.,Sect.D, 51, 1995
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1V41
 | | Crystal structure of human PNP complexed with 8-Azaguanine | | Descriptor: | 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Dos Santos, D.M, Canduri, F, Silva, R.G, Mendes, M.A, Basso, L.A, Palma, M.S, De Azevedo Jr, W.F, Santos, D.S. | | Deposit date: | 2003-11-08 | | Release date: | 2004-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of human PNP complexed with ligands.
Acta Crystallogr.,Sect.D, 61, 2005
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1K9E
 | | Crystal structure of a mutated family-67 alpha-D-glucuronidase (E285N) from Bacillus stearothermophilus T-6, complexed with 4-O-methyl-glucuronic acid | | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid, GLYCEROL, alpha-D-glucuronidase | | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | | Deposit date: | 2001-10-29 | | Release date: | 2002-10-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS.
J.Biol.Chem., 279, 2004
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2PRJ
 | | Binding of N-acetyl-beta-D-glucopyranosylamine to Glycogen Phosphorylase B | | Descriptor: | GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, N-acetyl-beta-D-glucopyranosylamine, ... | | Authors: | Oikonomakos, N.G, Kontou, M, Zographos, S.E, Watson, K.A, Johnson, L.N, Bichard, C.J.F, Fleet, G.W.J, Acharya, K.R. | | Deposit date: | 1998-12-11 | | Release date: | 1998-12-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-acetyl-beta-D-glucopyranosylamine: a potent T-state inhibitor of glycogen phosphorylase. A comparison with alpha-D-glucose.
Protein Sci., 4, 1995
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4AZ7
 | | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, BETA-N-ACETYLHEXOSAMINIDASE, ... | | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2012-06-23 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
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4AZH
 | | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, N-acetylglucosaminono-1,5-lactone (Z)-oxime | | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2012-06-26 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
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1D9E
 | | STRUCTURE OF E. COLI KDO8P SYNTHASE | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Radaev, S, Dastidar, P, Patel, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 1999-10-27 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of 3-deoxy-D-manno-octulosonate 8-phosphate synthase.
J.Biol.Chem., 275, 2000
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4O5W
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
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4O5Z
 | | O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), SODIUM ION | | Authors: | Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A. | | Deposit date: | 2013-12-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
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4MYB
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4CSS
 | | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | | Descriptor: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | | Deposit date: | 2014-03-10 | | Release date: | 2015-02-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.069 Å) | | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
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6LQB
 | | A third intermediate state of L,D-transpeptidase LdtMt2-ertapenem adduct | | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, ACETIC ACID, GLYCEROL, ... | | Authors: | Li, D.F, Qin, Y.L. | | Deposit date: | 2020-01-13 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A New State I-plus Observed for the L,D-transpeptidase LdtMt2-ertapenem Adduct
Prog.Biochem.Biophys., 47, 2020
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1XYL
 | | THE ROLE OF THE DIVALENT METAL ION IN SUGAR BINDING, RING OPENING, AND ISOMERIZATION BY D-XYLOSE ISOMERASE: REPLACEMENT OF A CATALYTIC METAL BY AN AMINO-ACID | | Descriptor: | HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE | | Authors: | Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
Biochemistry, 33, 1994
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3GJL
 | | crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3', SODIUM ION | | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T, Ohkubo, A, Sekine, M, Shibata, T, Millington, C.L, Williams, D.M. | | Deposit date: | 2009-03-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
To be Published
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4CBO
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4ORW
 | | Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | | Descriptor: | Prostaglandin-H2 D-isomerase | | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | Deposit date: | 2014-02-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.664 Å) | | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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1W3N
 | | Sulfolobus solfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with D-KDG | | Descriptor: | 2-KETO-3-DEOXY GLUCONATE ALDOLASE, 3-DEOXY-D-ARABINO-HEXONIC ACID, GLYCEROL | | Authors: | Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2004-07-17 | | Release date: | 2004-09-02 | | Last modified: | 2023-12-13 | | 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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4FHH
 | | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | | Deposit date: | 2012-06-06 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19, 2012
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1DFP
 | | FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE | | Descriptor: | DIISOPROPYL PHOSPHONATE, FACTOR D | | Authors: | Cole, L.B, Chu, N, Kilpatrick, J.M, Volanakis, J.E, Narayana, S.V.L, Babu, Y.S. | | Deposit date: | 1997-02-18 | | Release date: | 1998-02-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of diisopropyl fluorophosphate-inhibited factor D.
Acta Crystallogr.,Sect.D, 53, 1997
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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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3C2U
 | | Structure of the two subsite D-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase/arabinosidase | | Authors: | Brunzelle, J.S, Jordan, D.B, McCaslin, D.R, Olczak, A, Wawrzak, A. | | Deposit date: | 2008-01-25 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of the two-subsite beta-d-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane.
Arch.Biochem.Biophys., 474, 2008
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2ESC
 | | Crystal structure of a 40 KDa protective signalling protein from Bovine (SPC-40) at 2.1 A resolution | | Descriptor: | Chitinase-3-like protein 1, alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kumar, J, Ethayathulla, A.S, Srivastav, D.B, Sharma, S, Srinivasan, A, Singh, T.P. | | Deposit date: | 2005-10-26 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of a bovine secretory signalling glycoprotein (SPC-40) at 2.1 Angstrom resolution.
Acta Crystallogr.,Sect.D, 62, 2006
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3Q45
 | | Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val | | Descriptor: | D-ALANINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase, ... | | Authors: | Lukk, T, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2010-12-22 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RAS
 | | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | | Authors: | Diao, J, Deng, L, Prasad, B.V.V, Song, Y. | | Deposit date: | 2011-03-28 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.
J.Med.Chem., 54, 2011
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