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2KW8
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BU of 2kw8 by Molmil
Solution Structure of Bacillus anthracis Sortase A (SrtA) Transpeptidase
Descriptor: LPXTG-site transpeptidase family protein
Authors:Weiner, E.M, Robson, S.A, Marohn, M, Clubb, R.T.
Deposit date:2010-03-31
Release date:2010-05-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Sortase A enzyme that attaches proteins to the cell wall of Bacillus anthracis contains an unusual active site architecture.
J.Biol.Chem., 285, 2010
4AV4
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BU of 4av4 by Molmil
FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl pyridine
Descriptor: 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH
Authors:Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R.
Deposit date:2012-05-23
Release date:2012-06-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh.
Biochemistry, 51, 2012
1C1J
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BU of 1c1j by Molmil
STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION
Descriptor: BASIC PHOSPHOLIPASE A2, CADMIUM ION, octyl beta-D-glucopyranoside
Authors:Zhang, H.-l, Zhang, Y.-q, Song, S.-y, Zhou, Y, Lin, Z.-j.
Deposit date:1999-07-22
Release date:2002-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Cadmium-substituted Phospholipase A2 from Agkistrodon halys Pallas at 2.8 Angstroms Resolution
Protein Pept.Lett., 6, 1999
4IFH
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BU of 4ifh by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619
Descriptor: Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION
Authors:Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W.
Deposit date:2012-12-14
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.286 Å)
Cite:Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
2M8O
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BU of 2m8o by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC
Descriptor: Transmembrane protein gp41
Authors:Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
Deposit date:2013-05-23
Release date:2014-01-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
4OHU
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BU of 4ohu by Molmil
Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92
Descriptor: 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J.
Deposit date:2014-01-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
2BS5
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BU of 2bs5 by Molmil
LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH 2-FUCOSYLLACTOSE
Descriptor: CHLORIDE ION, FUCOSE-BINDING LECTIN PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A.
Deposit date:2005-05-18
Release date:2005-05-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Fucose-Binding Lectin from Ralstonia Solanacearum: A New Type of {Beta}-Propeller Architecture Formed by Oligomerization and Interacting with Fucoside, Fucosyllactose, and Plant Xyloglucan.
J.Biol.Chem., 280, 2005
2J5Y
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BU of 2j5y by Molmil
Crystal structure of the GA module from F.magna
Descriptor: PEPTOSTREPTOCOCCAL ALBUMIN-BINDING PROTEIN
Authors:Lejon, S, Cramer, J.F, Nordberg, P.A, Lundqvist, T, Valegard, K.
Deposit date:2006-09-20
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a Bacterial Albumin-Binding Domain at 1.4A Resolution.
FEBS Lett., 581, 2007
1KTA
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BU of 1kta by Molmil
HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE : THREE DIMENSIONAL STRUCTURE OF THE ENZYME IN ITS PYRIDOXAMINE PHOSPHATE FORM.
Descriptor: 3-METHYL-2-OXOBUTANOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ACETIC ACID, ...
Authors:Yennawar, N.H, Conway, M.E, Yennawar, H.P, Farber, G.K, Hutson, S.M.
Deposit date:2002-01-15
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms
Biochemistry, 41, 2002
4K18
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BU of 4k18 by Molmil
Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4K0Y
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BU of 4k0y by Molmil
Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
2BT9
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BU of 2bt9 by Molmil
Lectin from Ralstonia solanacearum complexed with Me-fucoside
Descriptor: LECTIN, methyl alpha-L-fucopyranoside
Authors:Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A.
Deposit date:2005-05-27
Release date:2005-06-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.
J. Biol. Chem., 280, 2005
2BS6
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BU of 2bs6 by Molmil
LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH XYLOGLUCAN FRAGMENT
Descriptor: GLYCEROL, LECTIN, alpha-L-fucopyranose, ...
Authors:Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A.
Deposit date:2005-05-18
Release date:2005-05-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan.
J. Biol. Chem., 280, 2005
2M8M
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BU of 2m8m by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol
Descriptor: Transmembrane protein gp41
Authors:Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M.
Deposit date:2013-05-23
Release date:2014-01-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN.
J.Biol.Chem., 289, 2014
4P5H
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BU of 4p5h by Molmil
Structure of Clostridium perfringens Enterotoxin with a peptide derived from a modified version of ECL-2 of Claudin 2
Descriptor: Claudin-2, Heat-labile enterotoxin B chain
Authors:Naylor, C.E, Yelland, T.S, Basak, A.K.
Deposit date:2014-03-17
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structure of a C. perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2.
J.Mol.Biol., 426, 2014
4KNW
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BU of 4knw by Molmil
The crystal structure of human HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE
Descriptor: MAGNESIUM ION, N-acylneuraminate-9-phosphatase, VANADATE ION
Authors:Klei, H.E.
Deposit date:2013-05-10
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
4KNV
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BU of 4knv by Molmil
The crystal structure of APO HUMAN HDHD4 FROM SE-MAD
Descriptor: MAGNESIUM ION, N-acylneuraminate-9-phosphatase, PHOSPHATE ION
Authors:Klei, H.E.
Deposit date:2013-05-10
Release date:2013-06-26
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
1XJU
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BU of 1xju by Molmil
Crystal structure of secreted inactive form of P1 phage endolysin Lyz
Descriptor: Lysozyme, SULFATE ION
Authors:Arockiasamy, A, Sacchettini, J.C.
Deposit date:2004-09-24
Release date:2005-01-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005
1XJT
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BU of 1xjt by Molmil
Crystal structure of active form of P1 phage endolysin Lyz
Descriptor: CITRIC ACID, Lysozyme
Authors:Arockiasamy, A, Sacchettini, J.C.
Deposit date:2004-09-24
Release date:2005-01-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005
4K1B
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BU of 4k1b by Molmil
Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2013-04-04
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4LLF
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BU of 4llf by Molmil
Crystal structure of Cucumber Necrosis Virus
Descriptor: CALCIUM ION, Capsid protein, ZINC ION
Authors:Smith, T.
Deposit date:2013-07-09
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8891 Å)
Cite:Atomic structure of cucumber necrosis virus and the role of the capsid in vector transmission.
J.Virol., 87, 2013
3ZIW
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BU of 3ziw by Molmil
Clostridium perfringens enterotoxin, D48A mutation and N-terminal 37 residues deleted
Descriptor: HEAT-LABILE ENTEROTOXIN B CHAIN, HEXAETHYLENE GLYCOL
Authors:Yelland, T, Naylor, C.E, Savva, C.G, Basak, A.K.
Deposit date:2013-01-14
Release date:2014-01-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a C. Perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2
J.Mol.Biol., 426, 2014
1GUB
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BU of 1gub by Molmil
Hinge-bending motion of D-allose binding protein from Escherichia coli: three open conformations
Descriptor: D-ALLOSE-BINDING PERIPLASMIC PROTEIN, NICKEL (II) ION
Authors:Magnusson, U, Chaudhuri, B.N, Ko, J, Park, C, Jones, T.A, Mowbray, S.L.
Deposit date:2002-01-24
Release date:2003-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of D-Allose Binding Protein from Escherichia Coli Bound to D-Allose at 1.8 A Resolution
J.Mol.Biol., 286, 1999
1GUD
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BU of 1gud by Molmil
Hinge-bending motion of D-allose binding protein from Escherichia coli: three open conformations
Descriptor: D-ALLOSE-BINDING PERIPLASMIC PROTEIN, ZINC ION
Authors:Magnusson, U, Chaudhuri, B.N, Ko, J, Park, C, Jones, T.A, Mowbray, S.L.
Deposit date:2002-01-24
Release date:2003-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of D-Allose Binding Protein from Escherichia Coli Bound to D-Allose at 1.8 A Resolution
J.Mol.Biol., 286, 1999
1HB9
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BU of 1hb9 by Molmil
quasi-atomic resolution model of bacteriophage PRD1 wild type virion, obtained by combined cryo-EM and X-ray crystallography.
Descriptor: BACTERIOPHAGE PRD1
Authors:San Martin, C, Burnett, R.M, De Haas, F, Heinkel, R, Rutten, T, Fuller, S.D, Butcher, S.J, Bamford, D.H.
Deposit date:2001-04-13
Release date:2001-12-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (25 Å)
Cite:Combined Em/X-Ray Imaging Yields a Quasi-Atomic Model of the Adenovirus-Related Bacteriophage Prd1 and Shows Key Capsid and Membrane Interactions
Structure, 9, 2001

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