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2FWE
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crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (oxidized form)
Descriptor: IODIDE ION, NICKEL (II) ION, SODIUM ION, ...
Authors:Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G.
Deposit date:2006-02-02
Release date:2006-06-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study
J.Mol.Biol., 358, 2006
2G82
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High Resolution Structures of Thermus aquaticus Glyceraldehyde-3-Phosphate Dehydrogenase: Role of 220's Loop Motion in Catalysis
Descriptor: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ISOPROPYL ALCOHOL, ...
Authors:Jenkins, J.L, Buencamino, R, Tanner, J.J.
Deposit date:2006-03-01
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High Resolution Structures of Thermus aquaticus Glyceraldehyde-3-Phosphate Dehydrogenase: Role of 220's Loop Motion in Catalysis
To be Published
2GG8
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Novel bacterial methionine aminopeptidase inhibitors
Descriptor: COBALT (II) ION, METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE, Methionine aminopeptidase, ...
Authors:Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M.
Deposit date:2006-03-23
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors.
Proteins, 66, 2007
2GG7
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Novel bacterial methionine aminopeptidase inhibitors
Descriptor: 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZO)-BENZOIC ACID, COBALT (II) ION, Methionine aminopeptidase, ...
Authors:Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M.
Deposit date:2006-03-23
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors.
Proteins, 66, 2007
3IMX
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BU of 3imx by Molmil
Crystal Structure of human glucokinase in complex with a synthetic activator
Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2009-08-11
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
3IV2
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Crystal structure of mature apo-Cathepsin L C25A mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ...
Authors:Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.
Deposit date:2009-08-31
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
3IC3
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BU of 3ic3 by Molmil
Structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium Rhodopseudomonas palustrus CGA009
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Cuff, M.E, Tesar, C, Jedrzejczak, R, Mckinlay, J.B, Harwood, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-17
Release date:2009-09-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium Rhodopseudomonas palustrus CGA009
TO BE PUBLISHED
3I8W
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Crystal structure of a metallacarborane inhibitor bound to HIV protease
Descriptor: CHLORIDE ION, COBALT BIS(1,2-DICARBOLLIDE), GLYCEROL, ...
Authors:Rezacova, P.
Deposit date:2009-07-10
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of HIV Protease Inhibitors Based on Inorganic Polyhedral Metallacarboranes
J.Med.Chem., 52, 2009
2IIT
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Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
Descriptor: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Biftu, T, Weber, A.E.
Deposit date:2006-09-28
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2ID4
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The 1.9 A structure of Kex2 in complex with an Ac-R-E-R-K-chloromethyl ketone inhibitor.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-RERK-CMK inhibitor, ...
Authors:Wheatley, J.L, Holyoak, T.
Deposit date:2006-09-14
Release date:2007-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential P1 arginine and lysine recognition in the prototypical proprotein convertase Kex2.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2HHA
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The structure of DPP4 in complex with an oxadiazole inhibitor
Descriptor: (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2006-06-28
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2IIZ
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BU of 2iiz by Molmil
Crystal structure of putative melanin biosynthesis protein TyrA with bound heme (NP_716371.1) from Shewanella Oneidensis at 2.30 A resolution
Descriptor: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Melanin biosynthesis protein TyrA, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-09-28
Release date:2006-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and structural characterization of heme binding in a novel dye-decolorizing peroxidase, TyrA.
Proteins, 69, 2007
3J4P
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Electron Microscopy Analysis of a Disaccharide Analog complex Reveals Receptor Interactions of Adeno-Associated Virus
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Capsid protein VP1, MAGNESIUM ION, ...
Authors:Xie, Q, Chapman, M.S.
Deposit date:2013-09-10
Release date:2013-10-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Electron microscopy analysis of a disaccharide analog complex reveals receptor interactions of adeno-associated virus.
J.Struct.Biol., 184, 2013
3JY9
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Janus Kinase 2 Inhibitors
Descriptor: (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-09-21
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
3JPY
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Crystal structure of the zinc-bound amino terminal domain of the NMDA receptor subunit NR2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit epsilon-2, ...
Authors:Karakas, E, Simorowski, N, Furukawa, H.
Deposit date:2009-09-04
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Structure of the zinc-bound amino-terminal domain of the NMDA receptor NR2B subunit.
Embo J., 28, 2009
3JU4
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Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution
Descriptor: CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ...
Authors:Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R.
Deposit date:2009-09-14
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure analysis of endosialidase NF at 0.98 A resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3JPW
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Crystal structure of amino terminal domain of the NMDA receptor subunit NR2B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate [NMDA] receptor subunit epsilon-2, ...
Authors:Karakas, E, Simorowski, N, Furukawa, H.
Deposit date:2009-09-04
Release date:2009-12-08
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structure of the zinc-bound amino-terminal domain of the NMDA receptor NR2B subunit.
Embo J., 28, 2009
2HYA
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HYALURONIC ACID, MOLECULAR CONFORMATIONS AND INTERACTIONS IN TWO SODIUM SALTS
Descriptor: 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-(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, SODIUM ION
Authors:Arnott, S.
Deposit date:1977-11-20
Release date:1980-03-28
Last modified:2024-02-21
Method:FIBER DIFFRACTION (3 Å)
Cite:Hyaluronic acid: molecular conformations and interactions in two sodium salts.
J.Mol.Biol., 95, 1975
2GIN
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X-ray structure of the wt allene oxide cyclase 2 from arabidopsis thaliana
Descriptor: Allene oxide cyclase 2, GLYCEROL, SODIUM ION
Authors:Hofmann, E, Schaller, F, Zerbe, P.
Deposit date:2006-03-29
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of Arabidopsis thaliana Allene Oxide Cyclase: Insights into the Oxylipin Cyclization Reaction
Plant Cell, 18, 2006
2HE4
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The crystal structure of the second PDZ domain of human NHERF-2 (SLC9A3R2) interacting with a mode 1 PDZ binding motif
Descriptor: 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2
Authors:Papagrigoriou, E, Elkins, J.M, Berridge, G, Gileady, O, Colebrook, S, Gileadi, C, Salah, E, Savitsky, P, Pantic, N, Gorrec, F, Bunkoczi, G, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2GMH
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Structure of Porcine Electron Transfer Flavoprotein-Ubiquinone Oxidoreductase in Complexed with Ubiquinone
Descriptor: 1,2-ETHANEDIOL, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, Electron transfer flavoprotein-ubiquinone oxidoreductase, ...
Authors:Zhang, J, Frerman, F.E, Kim, J.-J.P.
Deposit date:2006-04-06
Release date:2006-10-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3HWE
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Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam
Descriptor: FE (III) ION, GLYCEROL, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
2GKU
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Monomeric human telomere DNA tetraplex with 3+1 strand fold topology, two edgewise loops and double-chain reversal loop, NMR, 12 structures
Descriptor: Human telomere DNA
Authors:Luu, K.N, Phan, A.T, Kuryavyi, V.V, Lacroix, L, Patel, D.J.
Deposit date:2006-04-03
Release date:2006-08-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the human telomere in k(+) solution: an intramolecular (3 + 1) g-quadruplex scaffold.
J.Am.Chem.Soc., 128, 2006
2KJA
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Chemical shift assignments, constraints, and coordinates for CN5 scorpion toxin
Descriptor: Beta-toxin Cn5
Authors:Prochnicka-Chalufour, A, Corzo, G, Garcia, B.I, Possani, L.D, Delepierre, M.
Deposit date:2009-05-26
Release date:2009-10-06
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of Cn5, a crustacean toxin found in the venom of the scorpions Centruroides noxius and Centruroides suffusus suffusus.
Biochim.Biophys.Acta, 1794, 2009
2KF7
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Structure of a two-G-tetrad basket-type intramolecular G-quadruplex formed by human telomeric repeats in K+ solution (with G7-to-BRG substitution)
Descriptor: HUMAN TELOMERE DNA
Authors:Lim, K.W, Amrane, S, Bouaziz, S, Xu, W, Mu, Y, Patel, D.J, Luu, K.N, Phan, A.T.
Deposit date:2009-02-12
Release date:2009-03-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the human telomere in K+ solution: a stable basket-type G-quadruplex with only two G-tetrad layers
J.Am.Chem.Soc., 131, 2009

223790

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