5M3W
 
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-10-17 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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5LDK
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5LDP
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6DGU
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | | Descriptor: | Beta-lactamase | | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | Deposit date: | 2018-05-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
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4UYG
 | | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | | Descriptor: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | | Authors: | Chung, C, Bamborough, P, Gosmini, R. | | Deposit date: | 2014-08-31 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
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6DIZ
 | | EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | | Deposit date: | 2018-05-24 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid.
Plos Pathog., 15, 2019
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6DR5
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6D7W
 | | Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution | | Descriptor: | CALCIUM ION, Mitochondrial calcium uniporter | | Authors: | Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C. | | Deposit date: | 2018-04-25 | | Release date: | 2018-07-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
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4WML
 | | Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P | | Descriptor: | 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1 | | Authors: | Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P. | | Deposit date: | 2014-10-09 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P
To Be Published
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6DG3
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium | | Descriptor: | CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase | | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.944 Å) | | Cite: | Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE
J Life Sci, 2021
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4WUO
 | | Structure of the E270A Mutant Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, ETHANOL, ... | | Authors: | Pallo, A, Graczer, E, Olah, J, Szimler, T, Konarev, P.V, Svergun, D.I, Merli, A, Zavodszky, P, Vas, M, Weiss, M.S. | | Deposit date: | 2014-11-03 | | Release date: | 2014-11-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Glutamate 270 plays an essential role in K(+)-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase.
Febs Lett., 589, 2015
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9FGO
 | | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site | | Descriptor: | CHLORIDE ION, Polyprotein, ZINC ION | | Authors: | Ni, X, Koekemoer, L, Williams, E.P, Wang, S, Wright, N.D, Godoy, A.S, Aschenbrenner, J.C, Balcomb, B.H, Lithgo, R.M, Marples, P.G, Fairhead, M, Thompson, W, Kirkegaard, K, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-05-24 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site
To Be Published
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2VZ3
 | | bleached galactose oxidase | | Descriptor: | ACETATE ION, COPPER (II) ION, GALACTOSE OXIDASE | | Authors: | Rogers, M.S, Hurtado-Guerrero, R, Firbank, S.J, Halcrow, M.A, Dooley, D.M, Phillips, S.E.V, Knowles, P.F, McPherson, M.J. | | Deposit date: | 2008-07-29 | | Release date: | 2008-09-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen.
Biochemistry, 47, 2008
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9FFF
 | | dsDNA-FANCD2-FANCI complex | | Descriptor: | DNA (32-MER), DNA (33-MER), Fanconi anemia complementation group I, ... | | Authors: | Alcon, P, Passmore, L.A. | | Deposit date: | 2024-05-23 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | dsDNA-FANCD2-FANCI complex
To Be Published
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2VQC
 | | Structure of a DNA binding winged-helix protein, F-112, from Sulfolobus Spindle-shaped Virus 1. | | Descriptor: | HYPOTHETICAL 13.2 KDA PROTEIN | | Authors: | Menon, S.K, Kraft, P, Corn, G.J, Wiedenheft, B, Young, M.J, Lawrence, C.M. | | Deposit date: | 2008-03-12 | | Release date: | 2008-05-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cysteine Usage in Sulfolobus Spindle-Shaped Virus 1 and Extension to Hyperthermophilic Viruses in General.
Virology, 376, 2008
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5EH0
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-27 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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3E7Z
 | | Structure of human insulin | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Timofeev, V.I, Lyashenko, A.V, Kislitsyn, Y.A, Baidus, A.N, Kuranova, I.P. | | Deposit date: | 2008-08-19 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of human insulin
To be published
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3EUE
 | | Crystal structure of ligand-free human uridine phosphorylase 1 (hUPP1) | | Descriptor: | MAGNESIUM ION, SULFATE ION, Uridine phosphorylase 1 | | Authors: | Roosild, T.P. | | Deposit date: | 2008-10-09 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy.
Bmc Struct.Biol., 9, 2009
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2VUZ
 | | Crystal structure of Codakine in complex with biantennary nonasaccharide at 1.7A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CODAKINE, ... | | Authors: | Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
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3E2T
 | | The catalytic domain of chicken tryptophan hydroxylase 1 with bound tryptophan | | Descriptor: | FE (III) ION, IMIDAZOLE, SULFATE ION, ... | | Authors: | Windahl, M.S, Petersen, C.R, Christensen, H.E.C, Harris, P. | | Deposit date: | 2008-08-06 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of tryptophan hydroxylase with bound amino acid substrate
Biochemistry, 47, 2008
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2VPD
 | | Decoding of methylated histone H3 tail by the Pygo-BCL9 Wnt signaling complex | | Descriptor: | B-CELL CLL/LYMPHOMA 9 PROTEIN, PYGOPUS HOMOLOG 1, ZINC ION | | Authors: | Fiedler, M, Sanchez-Barrena, M.J, Nekrasov, M, Mieszczanek, J, Rybin, V, Muller, J, Evans, P, Bienz, M. | | Deposit date: | 2008-02-27 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Decoding of Methylated Histone H3 Tail by the Pygo- Bcl9 Wnt Signaling Complex.
Mol.Cell, 30, 2008
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5EI2
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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6TMR
 | | Mokola virus glycoprotein, monomeric post-fusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, TERBIUM(III) ION | | Authors: | Belot, L, Roche, S, Legrand, P, Gaudin, Y, Albertini, A. | | Deposit date: | 2019-12-05 | | Release date: | 2020-02-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.893 Å) | | Cite: | Crystal structure of Mokola virus glycoprotein in its post-fusion conformation.
Plos Pathog., 16, 2020
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2VQP
 | | Structure of the matrix protein from human Respiratory Syncytial Virus | | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Money, V.A, McPhee, H.K, Sanderson, J.M, Yeo, R.P. | | Deposit date: | 2008-03-18 | | Release date: | 2009-02-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Surface Features of a Mononegavirales Matrix Protein Indicate Sites of Membrane Interaction.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3EPY
 | | Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa | | Descriptor: | Acyl-CoA-binding domain-containing protein 7, COENZYME A, PALMITIC ACID | | Authors: | Kavanagh, K.L, Salah, E, Yue, W.W, Savitsky, P, Murray, J.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-30 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa
To be Published
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