1L5O
| Crystal Structure of CobT complexed with 3,4-dimethylphenol and nicotinate mononucleotide | Descriptor: | 3,4-DIMETHYLPHENOL, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | Deposit date: | 2002-03-07 | Release date: | 2002-09-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica. J.Biol.Chem., 277, 2002
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6GNT
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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2PTW
| Crystal Structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV | Descriptor: | 1,2-ETHANEDIOL, Enolase, SULFATE ION, ... | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | Deposit date: | 2007-05-08 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics. Febs J., 274, 2007
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6H5G
| Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | Descriptor: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 6, 2019
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1ZAK
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6YHV
| Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: unliganded Tse8 | Descriptor: | COPPER (II) ION, Tse8 | Authors: | Sainz-Polo, M.A, Capuni, R, Pretre, G, Gonzalez-Magana, A, Lucas, M, Altuna, J, Montanchez, I, Fucini, P, Albesa-Jove, D. | Deposit date: | 2020-03-31 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8. J.Struct.Biol., 212, 2020
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6H2P
| Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate ligand | Descriptor: | CACODYLATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Wilk, P, Piwowarczyk, R, Weiss, M.S. | Deposit date: | 2018-07-14 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structural basis for prolidase deficiency disease mechanisms. FEBS J., 285, 2018
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1ZPT
| Escherichia coli Methylenetetrahydrofolate Reductase (reduced) complexed with NADH, pH 7.25 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Pejchal, R, Sargeant, R, Ludwig, M.L. | Deposit date: | 2005-05-17 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of NADH and CH(3)-H(4)Folate Complexes of Escherichia coli Methylenetetrahydrofolate Reductase Reveal a Spartan Strategy for a Ping-Pong Reaction Biochemistry, 44, 2005
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6YJV
| Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | Authors: | Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J. | Deposit date: | 2020-04-04 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V Acs Catalysis, 2020
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6H5J
| Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | Descriptor: | (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 6, 2019
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6YLO
| mTurquoise2 - Directionality of Optical Properties of Fluorescent Proteins | Descriptor: | POTASSIUM ION, TETRAETHYLENE GLYCOL, mTurquoise2_C2221 | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | Deposit date: | 2020-04-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directionality of light absorption and emission in representative fluorescent proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6YLS
| mEos4b - Directionality of Optical Properties of Fluorescent Proteins | Descriptor: | CHLORIDE ION, Green to red photoconvertible GFP-like protein EosFP, SODIUM ION | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | Deposit date: | 2020-04-07 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Directionality of light absorption and emission in representative fluorescent proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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2Q1D
| 2-keto-3-deoxy-D-arabinonate dehydratase complexed with magnesium and 2,5-dioxopentanoate | Descriptor: | 2,5-DIOXOPENTANOIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, MAGNESIUM ION | Authors: | Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | Deposit date: | 2007-05-24 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily. J.Mol.Biol., 379, 2008
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2FIV
| Crystal structure of feline immunodeficiency virus protease complexed with a substrate | Descriptor: | ACE-ALN-VAL-STA-GLU-ALN-NH2, FELINE IMMUNODEFICIENCY VIRUS PROTEASE, SULFATE ION | Authors: | Schalk-Hihi, C, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | Deposit date: | 1997-07-21 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the inactive D30N mutant of feline immunodeficiency virus protease complexed with a substrate and an inhibitor. Biochemistry, 36, 1997
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4FT8
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2F3G
| IIAGLC CRYSTAL FORM III | Descriptor: | GLUCOSE-SPECIFIC PHOSPHOCARRIER | Authors: | Feese, M, Comolli, L, Meadow, N, Roseman, S, Remington, S.J. | Deposit date: | 1997-10-14 | Release date: | 1998-01-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural studies of the Escherichia coli signal transducing protein IIAGlc: implications for target recognition. Biochemistry, 36, 1997
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2PP9
| Nitrate bound wild type oxidized AfNiR | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | Authors: | Murphy, M.E.P, Tocheva, E.I. | Deposit date: | 2007-04-28 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules. Biochemistry, 47, 2008
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1LBM
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1LFL
| DEOXY HEMOGLOBIN (90% RELATIVE HUMIDITY) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Biswal, B.K, Vijayan, M. | Deposit date: | 2002-04-11 | Release date: | 2002-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state. Acta Crystallogr.,Sect.D, 58, 2002
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8JS5
| Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | Deposit date: | 2023-06-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme. To be published
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1PY1
| Complex of GGA1-VHS domain and beta-secretase C-terminal phosphopeptide | Descriptor: | ADP-ribosylation factor binding protein GGA1, Beta-secretase | Authors: | Zhu, G, Zhang, X.C. | Deposit date: | 2003-07-07 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical and structural characterization of the interaction of memapsin 2 (beta-secretase)
cytosolic domain with the VHS domain of GGA proteins. Biochemistry, 42, 2003
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1PY2
| Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2 | Descriptor: | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION | Authors: | Thanos, C.D, Randal, M, Wells, J.A. | Deposit date: | 2003-07-07 | Release date: | 2004-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent small-molecule binding to a dynamic hot spot on IL-2. J.Am.Chem.Soc., 125, 2003
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1L4F
| The crystal structure of CobT complexed with 4,5-dimethyl-1,2-phenylenediamine and nicotinate mononucleotide | Descriptor: | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | Deposit date: | 2002-03-06 | Release date: | 2002-09-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica. J.Biol.Chem., 277, 2002
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6SKV
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1L4K
| Crystal Structure of CobT complexed with 3,4-dimethylaniline and nicotinate mononucleotide | Descriptor: | 3,4-DIMETHYLANILINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | Deposit date: | 2002-03-06 | Release date: | 2002-09-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica. J.Biol.Chem., 277, 2002
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