4R8N
 
 | | Crystal structure of Staphylococcal nuclease variant V23I/V66I/I72V/I92V at cryogenic temperature | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B. | | Deposit date: | 2014-09-02 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Cavities in proteins
To be Published
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4QR4
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
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3WGZ
 | | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88 | | Descriptor: | D-LEUCINE, Meso-diaminopimelate dehydrogenase | | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2013-08-20 | | Release date: | 2014-08-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88
to be published
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4QRD
 | | Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | | Descriptor: | MAGNESIUM ION, Methionyl-tRNA synthetase, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | | Authors: | Li, X, Hilgers, M.T, Stidham, M, Brown-Driver, V, Shaw, K.J, Finn, J. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
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4QRQ
 | | Crystal Structure of HLA B*0801 in complex with HSKKKCDEL | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ... | | Authors: | Gras, S, Berry, R, Lucet, I.S, Rossjohn, J. | | Deposit date: | 2014-07-02 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
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3WID
 | | Structure of a glucose dehydrogenase T277F mutant in complex with NADP | | Descriptor: | Glucose 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ... | | Authors: | Sakuraba, H, Kanoh, Y, Yoneda, K, Ohshima, T. | | Deposit date: | 2013-09-10 | | Release date: | 2014-05-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insight into glucose dehydrogenase from the thermoacidophilic archaeon Thermoplasma volcanium.
Acta Crystallogr.,Sect.D, 70, 2014
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4RBU
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3W6Y
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-2-199 | | Descriptor: | 5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-27 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-2-199
To be Published
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4RDU
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4QPO
 | | Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM | | Descriptor: | PHOSPHATE ION, Relaxosome protein TraM | | Authors: | Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M. | | Deposit date: | 2014-06-24 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM.
J.Mol.Biol., 426, 2014
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3WSD
 | | Oxidized HcgD from Methanocaldococcus jannaschii | | Descriptor: | CHLORIDE ION, FE (III) ION, Putative GTP cyclohydrolase 1 type 2 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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3SON
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4QVJ
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4MH5
 | | Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-glutamate | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-08-29 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate.
J.Struct.Biol., 176, 2011
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4R06
 | | Crystal Structure of SR2067 bound to PPARgamma | | Descriptor: | 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION | | Authors: | Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B. | | Deposit date: | 2014-07-30 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism.
Acs Chem.Biol., 11, 2016
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4R0K
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4R0Z
 | | A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo | | Descriptor: | FORMIC ACID, Protein humpback-2 | | Authors: | Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I. | | Deposit date: | 2014-08-03 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo
Dev.Cell, 33, 2015
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3W3J
 | | Crystal structure of human TLR8 in complex with CL097 | | Descriptor: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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3W7L
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-075 | | Descriptor: | 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-075
To be Published
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4R61
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4MIV
 | | Crystal Structure of Sulfamidase, Crystal Form L | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sidhu, N.S, Uson, I, Schreiber, K, Proepper, K, Becker, S, Sheldrick, G.M, Gaertner, J, Kraetzner, R, Steinfeld, R. | | Deposit date: | 2013-09-02 | | Release date: | 2014-05-14 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA.
Acta Crystallogr.,Sect.D, 70, 2014
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3WW6
 | | Crystal Structure of hen egg white lysozyme mutant N46D/D52S | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T. | | Deposit date: | 2014-06-17 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme.
Protein Sci., 25, 2016
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3WX7
 | | Crystal structure of COD | | Descriptor: | ACETATE ION, CALCIUM ION, Chitin oligosaccharide deacetylase, ... | | Authors: | Park, S.-Y, Sugiyama, K, Hirano, T, Nishio, T. | | Deposit date: | 2014-07-18 | | Release date: | 2014-12-03 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Structure-based analysis of domain function of chitin oligosaccharide deacetylase from Vibrio parahaemolyticus.
FEBS Lett., 589, 2015
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4DPI
 | | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4R1L
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