5FV9
 
 | | Crystal structure of GalNAc-T2 in complex with compound 16d | | Descriptor: | 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ... | | Authors: | Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P. | | Deposit date: | 2016-02-03 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates.
Chemistry, 22, 2016
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1P3O
 | | Crystallographic Studies of Nucleosome Core Particles containing Histone 'Sin' Mutants | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Muthurajan, U.M, Bao, Y, Forsberg, L.J, Edayathumangalam, R.S, Dyer, P.N, White, C.L, Luger, K. | | Deposit date: | 2003-04-17 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structures of histone Sin mutant nucleosomes reveal altered protein-DNA interactions
EMBO J., 23, 2004
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1P4R
 | | Crystal Structure of Human ATIC in complex with folate-based inhibitor BW1540U88UD | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID, ... | | Authors: | Cheong, C.-G, Greasley, S.E, Horton, P.A, Beardsley, G.P, Wilson, I.A. | | Deposit date: | 2003-04-23 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structures of human bifunctional enzyme aminoimidazole-4-carboxamide ribonucleotide transformylase/IMP cyclohydrolase in complex with potent sulfonyl-containing antifolates
J.Biol.Chem., 279, 2004
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2WE2
 | | EBV dUTPase double mutant Gly78Asp-Asp131Ser with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | | Authors: | Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P. | | Deposit date: | 2009-03-27 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
J.Biol.Chem., 284, 2009
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5TYA
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | Deposit date: | 2016-11-18 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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5J8S
 | | Iron-free state of Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | | Deposit date: | 2016-04-08 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
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6EXF
 | | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Fe(II)/Lysine | | Descriptor: | FE (III) ION, GLYCEROL, L-lysine 4-hydroxylase, ... | | Authors: | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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3TFR
 | | Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CF2)PP in the active site | | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | | Deposit date: | 2011-08-16 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta.
Chembiochem, 13, 2012
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5J9V
 | | Ten minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | | Deposit date: | 2016-04-11 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
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5U2O
 | | Crystal structure of Zn-binding triple mutant of GH family 9 endoglucanase J30 | | Descriptor: | CITRATE ANION, GLYCEROL, J30 CCH, ... | | Authors: | Ellinghaus, T.L, Pereira, J.H, McAndrew, R.P, Welner, D.H, Adams, P.D. | | Deposit date: | 2016-11-30 | | Release date: | 2018-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Engineering glycoside hydrolase stability by the introduction of zinc binding.
Acta Crystallogr D Struct Biol, 74, 2018
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8GJH
 | | Salmonella ArnA | | Descriptor: | Bifunctional polymyxin resistance protein ArnA, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | | Authors: | Sousa, M.C, Mitchell, M.E, Gatzeva-Topalova, P.Z. | | Deposit date: | 2023-03-15 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Targeting the Conformational Change in ArnA Dehydrogenase for Selective Inhibition of Polymyxin Resistance.
Biochemistry, 62, 2023
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3WCD
 | | The complex structure of HsSQS wtih ligand, WC-9 | | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Squalene synthase | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-27 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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4QOM
 | | Bacillus pumilus catalase with pyrogallol bound | | Descriptor: | BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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5FRC
 | | Structure of urate oxidase prepared by the 'soak-and-freeze' method under 42 bar of oxygen pressure | | Descriptor: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | | Deposit date: | 2015-12-16 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.443 Å) | | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
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8D8P
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1FCV
 | | CRYSTAL STRUCTURE OF BEE VENOM HYALURONIDASE IN COMPLEX WITH HYALURONIC ACID TETRAMER | | Descriptor: | HYALURONOGLUCOSAMINIDASE, alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid | | Authors: | Markovic-Housley, Z, Miglierini, G, Soldatova, L, Rizkallah, P.J, Mueller, U, Schirmer, T. | | Deposit date: | 2000-07-19 | | Release date: | 2001-10-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of hyaluronidase, a major allergen of bee venom.
Structure Fold.Des., 8, 2000
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6SV3
 | | Structure of coproheme-LmCpfC | | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Ferrochelatase, GLYCEROL | | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | | Deposit date: | 2019-09-17 | | Release date: | 2019-12-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.64000869 Å) | | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
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5GN6
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | | Deposit date: | 2016-07-19 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
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1FDY
 | | N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH HYDROXYPYRUVATE | | Descriptor: | 3-HYDROXYPYRUVIC ACID, N-ACETYLNEURAMINATE LYASE | | Authors: | Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M. | | Deposit date: | 1996-07-08 | | Release date: | 1997-10-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
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3KBS
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5TPC
 | | Binding domain of BoNT/A complexed with ganglioside | | Descriptor: | Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | | Authors: | Berntsson, R.P.-A, Svensson, L.M, Stenmark, P. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
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6SYK
 | | Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair | | Descriptor: | GCnCG | | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | | Deposit date: | 2019-09-30 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly.
Nucleic Acids Res., 48, 2020
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4QJK
 | | Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT | | Descriptor: | COENZYME A, Phosphopantetheinyl transferase PptT, SULFATE ION | | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
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2WE1
 | | EBV dUTPase mutant Asp131Asn with bound dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | | Authors: | Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P. | | Deposit date: | 2009-03-27 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
J.Biol.Chem., 284, 2009
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6BEW
 | | Solution structure of de novo macrocycle design7.2 | | Descriptor: | (DHI)P(DAS)(DGN)(DSN)(DGL)P | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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