4UZF
 
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4V3H
 | | Crystal structure of CymA from Klebsiella oxytoca | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN, NITRATE ION | | Authors: | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | | Deposit date: | 2014-10-18 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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2BQP
 | | THE STRUCTURE OF THE PEA LECTIN-D-GLUCOPYRANOSE COMPLEX | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEA LECTIN), ... | | Authors: | Ruzeinikov, S.N, Mikhailova Yu, I, Tsygannik, I.N, Pangborn, W, Duax, W, Pletnev, V.Z. | | Deposit date: | 1998-12-08 | | Release date: | 1998-12-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure of Pea Lectin-D-Glucopyranose Complex at a 1.9 A Resolution
RUSS.J.BIOORGANIC CHEM., 23, 1997
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2C4D
 | | 2.6A Crystal Structure of Psathyrella velutina Lectin in Complex with N-acetylglucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PSATHYRELLA VELUTINA LECTIN PVL, ... | | Authors: | Cioci, G, Mitchell, E.P, Chazalet, V, Gautier, C, Oscarson, S, Debray, H, Perez, S, Imberty, A. | | Deposit date: | 2005-10-18 | | Release date: | 2006-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Beta-Propeller Crystal Structure of Psathyrella Velutina Lectin: An Integrin-Like Fungal Protein Interacting with Monosaccharides and Calcium.
J.Mol.Biol., 357, 2006
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4UVM
 | | In meso crystal structure of the POT family transporter PepTSo | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, GLUTATHIONE UPTAKE TRANSPORTER | | Authors: | Lyons, J.A, Solcan, N, Caffrey, M, Newstead, S. | | Deposit date: | 2014-08-07 | | Release date: | 2015-02-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Gating Topology of the Proton-Coupled Oligopeptide Symporters.
Structure, 23, 2015
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2BVM
 | | Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion | | Descriptor: | MANGANESE (II) ION, SULFATE ION, TOXIN B, ... | | Authors: | Reinert, D.J, Jank, T, Aktories, K, Schulz, G.E. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Function of Clostridium Difficile Toxin B.
J.Mol.Biol., 351, 2005
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6CI9
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4W93
 | | Human pancreatic alpha-amylase in complex with montbretin A | | Descriptor: | CALCIUM ION, CHLORIDE ION, Montbretin A, ... | | Authors: | Williams, L.K, Caner, S, Brayer, G.D. | | Deposit date: | 2014-08-27 | | Release date: | 2015-07-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.
Nat.Chem.Biol., 11, 2015
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4W9A
 | | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2 | | Descriptor: | Gamma-crystallin B | | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | | Deposit date: | 2014-08-27 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
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7AAR
 | | sugar/H+ symporter STP10 in inward open conformation | | Descriptor: | CHLORIDE ION, Octyl Glucose Neopentyl Glycol, Sugar transport protein 10, ... | | Authors: | Bavnhoej, L, Paulsen, P.A, Pedersen, B.P. | | Deposit date: | 2020-09-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
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4W80
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9BNF
 | | SARS-CoV-2 spike HexaPro protein in complex with T5A trimeric antagonist | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(XVIII) chain,Processed angiotensin-converting enzyme 2, ... | | Authors: | Young, T. | | Deposit date: | 2024-05-02 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Development of an ultrahigh affinity, trimeric ACE2 biologic as a universal COVID antagonist
To Be Published
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4UVU
 | | Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | | Descriptor: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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4UR9
 | | Structure of ligand bound glycosylhydrolase | | Descriptor: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | | Authors: | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | | Deposit date: | 2014-06-27 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
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9BNE
 | | SARS-CoV-2 spike HexaPro protein in complex with T3A trimeric antagonist | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(XVIII) chain,Processed angiotensin-converting enzyme 2, ... | | Authors: | Young, T. | | Deposit date: | 2024-05-02 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Development of an ultrahigh affinity, trimeric ACE2 biologic as a universal COVID antagonist
To Be Published
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4URM
 | | Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin | | Descriptor: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA GYRASE SUBUNIT B | | Authors: | Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
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4UUU
 | | 1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM | | Descriptor: | 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE | | Authors: | Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2014-07-31 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
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9BNG
 | | SARS-CoV-2 spike HexaPro protein in complex with T18A trimeric antagonist | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(XVIII) chain,Processed angiotensin-converting enzyme 2, ... | | Authors: | Young, T. | | Deposit date: | 2024-05-02 | | Release date: | 2025-08-27 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Development of an ultrahigh affinity, trimeric ACE2 biologic as a universal COVID antagonist
To Be Published
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4V25
 | | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | | Deposit date: | 2014-10-06 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
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4V2K
 | | Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate | | Descriptor: | HEME C, THIOSULFATE, THIOSULFATE DEHYDROGENASE | | Authors: | Grabarczyk, D.B, Chappell, P.E, Eisel, B, Johnson, S, Lea, S.M, Berks, B.C. | | Deposit date: | 2014-10-10 | | Release date: | 2015-02-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes
J.Biol.Chem., 290, 2015
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4V3N
 | | Membrane bound pleurotolysin prepore (TMH2 strand lock) trapped with engineered disulphide cross-link | | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | | Deposit date: | 2014-10-20 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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4W4M
 | | Crystal structure of PrgK 19-92 | | Descriptor: | Lipoprotein PrgK | | Authors: | Bergeron, J.R.C, Strynadka, N.C.J. | | Deposit date: | 2014-08-15 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
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4W4T
 | | The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway | | Descriptor: | ACETATE ION, MxaA | | Authors: | Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J. | | Deposit date: | 2014-08-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
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4W4X
 | | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | Descriptor: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | Deposit date: | 2014-08-15 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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7AAQ
 | | sugar/H+ symporter STP10 in outward occluded conformation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ... | | Authors: | Bavnhoej, L, Paulsen, P.A, Pedersen, B.P. | | Deposit date: | 2020-09-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
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