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2B4M
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BU of 2b4m by Molmil
Crystal structure of the binding protein OpuAC in complex with proline betaine
Descriptor: 1,1-DIMETHYL-PROLINIUM, Glycine betaine-binding protein
Authors:Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E.
Deposit date:2005-09-26
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine.
J.Mol.Biol., 357, 2006
5T7J
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BU of 5t7j by Molmil
X-ray crystal structure of AA13 LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2016-09-05
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
3OFJ
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BU of 3ofj by Molmil
Crystal structure of N-methyltransferase NodS from Bradyrhizobium japonicum WM9
Descriptor: Nodulation protein S
Authors:Cakici, O, Sikorski, M, Stepkowski, T, Bujacz, G, Jaskolski, M.
Deposit date:2010-08-15
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures of NodS N-Methyltransferase from Bradyrhizobium japonicum in Ligand-Free Form and as SAH Complex.
J.Mol.Biol., 404, 2010
4O6T
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BU of 4o6t by Molmil
1.25A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, pH 5.4)
Descriptor: 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
1M67
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BU of 1m67 by Molmil
Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-hydroxy-purine
Descriptor: 2-BROMO-6-HYDROXY-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID
Authors:Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J.
Deposit date:2002-07-12
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase
Chem.Biol., 9, 2002
3N7A
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BU of 3n7a by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2
Descriptor: 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL
Authors:Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
Deposit date:2010-05-26
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3N8K
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BU of 3n8k by Molmil
Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid
Descriptor: 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
Authors:Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-05-28
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3ND5
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BU of 3nd5 by Molmil
Crystal structure of phosphopantetheine adenylyltransferase (PPAT) from Enterococcus faecalis
Descriptor: Phosphopantetheine adenylyltransferase
Authors:Yoon, H.J, Lee, H.H, Suh, S.W.
Deposit date:2010-06-07
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of phosphopantetheine adenylyltransferase from Enterococcus faecalis in the ligand-unbound state and in complex with ATP and pantetheine
Mol.Cells, 32, 2011
4G1V
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BU of 4g1v by Molmil
X-ray structure of yeast flavohemoglobin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, NITRITE ION, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U.
Deposit date:2012-07-11
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole.
Febs J., 279, 2012
4O6U
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BU of 4o6u by Molmil
0.89A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant)
Descriptor: 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
3ND6
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BU of 3nd6 by Molmil
Crystal structure of phosphopantetheine adenylyltransferase (PPAT) in complex with ATP from Enterococcus faecalis
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphopantetheine adenylyltransferase
Authors:Yoon, H.J, Lee, H.H, Suh, S.W.
Deposit date:2010-06-07
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of phosphopantetheine adenylyltransferase from Enterococcus faecalis in the ligand-unbound state and in complex with ATP and pantetheine
Mol.Cells, 32, 2011
1JDJ
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BU of 1jdj by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE
Descriptor: 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE
Authors:Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J.
Deposit date:2001-06-14
Release date:2002-06-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
3PN2
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BU of 3pn2 by Molmil
Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) (crystallized in PEG-550-MME)
Descriptor: Peptide deformylase 1B, chloroplastic, ZINC ION
Authors:Fieulaine, S, Meinnel, T, Giglione, C.
Deposit date:2010-11-18
Release date:2011-06-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Trapping conformational States along ligand-binding dynamics of Peptide deformylase: the impact of induced fit on enzyme catalysis.
Plos Biol., 9, 2011
4J9T
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BU of 4j9t by Molmil
Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61
Descriptor: ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-02-17
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
4JBL
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BU of 4jbl by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase from Entamoeba histolytica in complex with Methionine
Descriptor: Cysteine synthase, METHIONINE, SULFATE ION
Authors:Raj, I, Gourinath, S.
Deposit date:2013-02-19
Release date:2013-12-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of ligand recognition by OASS from E. histolytica: insights from structural and molecular dynamics simulation studies
Biochim.Biophys.Acta, 1830, 2013
4HBN
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BU of 4hbn by Molmil
Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L.
Deposit date:2012-09-28
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel.
Structure, 20, 2012
4EMO
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BU of 4emo by Molmil
Crystal structure of the PH domain of SHARPIN
Descriptor: Sharpin
Authors:Stieglitz, B, Haire, L.F, Dikic, I, Rittinger, K.
Deposit date:2012-04-12
Release date:2012-05-02
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of SHARPIN, a Subunit of a Large Multi-protein E3 Ubiquitin Ligase, Reveals a Novel Dimerization Function for the Pleckstrin Homology Superfold.
J.Biol.Chem., 287, 2012
3RO9
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BU of 3ro9 by Molmil
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Descriptor: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence
Authors:Paulsen, J.L, Anderson, A.C.
Deposit date:2011-04-25
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
1SBR
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BU of 1sbr by Molmil
The structure and function of B. subtilis YkoF gene product: the complex with thiamin
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, CALCIUM ION, ykoF
Authors:Devedjiev, Y, Surendranath, Y, Derewenda, U, Derewenda, Z.S.
Deposit date:2004-02-11
Release date:2004-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure and Ligand Binding Properties of the B.subtilis YkoF Gene Product, a Member of a Novel Family of Thiamin/HMP-binding Proteins
J.Mol.Biol., 343, 2004
1IUB
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BU of 1iub by Molmil
Fucose-specific lectin from Aleuria aurantia (Hg-derivative form)
Descriptor: CHLORIDE ION, Fucose-specific lectin, MERCURY (II) ION, ...
Authors:Fujihashi, M, Peapus, D.H, Kamiya, N, Nagata, Y, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-03-01
Release date:2003-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of Fucose-Specific Lectin from Aleuria aurantia Binding Ligands at Three of Its Five Sugar Recognition Sites
Biochemistry, 42, 2003
2CUP
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BU of 2cup by Molmil
Solution structure of the Skeletal muscle LIM-protein 1
Descriptor: Skeletal muscle LIM-protein 1, ZINC ION
Authors:Niraula, T.N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-27
Release date:2005-11-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Skeletal muscle LIM-protein 1
To be Published
2CPI
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BU of 2cpi by Molmil
Solution structure of the RNA recognition motif of CNOT4
Descriptor: CCR4-NOT transcription complex subunit 4
Authors:Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-19
Release date:2005-11-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the RNA recognition motif of CNOT4
To be Published
2CUC
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BU of 2cuc by Molmil
Solution structure of the SH3 domain of the mouse hypothetical protein SH3RF2
Descriptor: SH3 domain containing ring finger 2
Authors:Ohnishi, S, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-26
Release date:2005-11-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the SH3 domain of the mouse hypothetical protein SH3RF2
To be Published
3CFN
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BU of 3cfn by Molmil
Crystal structure of human transthyretin in complex with 1-anilino-8-naphthalene sulfonate
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, Transthyretin
Authors:Lima, L.-M.T.R, Foguel, D, Polikarpov, I.
Deposit date:2008-03-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of a novel ligand binding motif in the transthyretin channel.
Bioorg.Med.Chem., 18, 2010
2KF6
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BU of 2kf6 by Molmil
Barnase bound to d(CGAC) high pressure
Descriptor: Ribonuclease
Authors:Williamson, M.P, Wilton, D.J.
Deposit date:2009-02-11
Release date:2009-12-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations.
Biophys.J., 97, 2009

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