4MGB
 
 | | Crystal structure of hERa-LBD (Y537S) in complex with TCBPA | | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ... | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors.
Environ.Health Perspect., 122, 2014
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4KPU
 | | Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | | Descriptor: | CHLORIDE ION, Electron transfer flavoprotein alpha subunit, Electron transfer flavoprotein alpha/beta-subunit, ... | | Authors: | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | | Deposit date: | 2013-05-14 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans.
J.Biol.Chem., 289, 2014
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4KLV
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with 4-methylumbelliferyl phosphate | | Descriptor: | 1,2-ETHANEDIOL, 4-methylumbelliferyl phosphate, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-07 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
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4KR3
 | | Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly | | Descriptor: | GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ... | | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | Deposit date: | 2013-05-16 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.235 Å) | | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
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4KT8
 | | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2013-05-20 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
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3UEM
 | | Crystal structure of human PDI bb'a' domains | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Protein disulfide-isomerase | | Authors: | Yu, J, Wang, C, Huo, L, Feng, W, Wang, C.-C. | | Deposit date: | 2011-10-30 | | Release date: | 2011-11-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Human protein-disulfide isomerase is a redox-regulated chaperone activated by oxidation of domain a'
J.Biol.Chem., 287, 2012
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4KR2
 | | Glycyl-tRNA synthetase in complex with tRNA-Gly | | Descriptor: | ADENOSINE MONOPHOSPHATE, Gly-tRNA-CCC, Glycine--tRNA ligase | | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | | Deposit date: | 2013-05-16 | | Release date: | 2014-05-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.292 Å) | | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
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4KRZ
 | | Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi | | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2013-05-17 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
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3UI4
 | | 0.8 A resolution crystal structure of human Parvulin 14 | | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
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3UDO
 | | Crystal structure of putative isopropylamlate dehydrogenase from Campylobacter jejuni | | Descriptor: | 1,2-ETHANEDIOL, 3-isopropylmalate dehydrogenase, SULFATE ION | | Authors: | Tkaczuk, K.L, Chruszcz, M, Blus, B.J, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-10-28 | | Release date: | 2011-11-09 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of putative isopropylamlate dehydrogenase from Campylobacter jejuni
To be Published
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3UEF
 | | Crystal structure of human Survivin bound to histone H3 (C2 space group). | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ... | | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | | Deposit date: | 2011-10-30 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
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4K66
 | | Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
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3UI5
 | | Crystal structure of human Parvulin 14 | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
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4KOT
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefotaxime | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
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4KOX
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefalotin | | Descriptor: | 1,2-ETHANEDIOL, CEPHALOTHIN, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
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3ULR
 | | Lysozyme contamination facilitates crystallization of a hetero-trimericCortactin:Arg:Lysozyme complex | | Descriptor: | Abelson tyrosine-protein kinase 2, Lysozyme C, Src substrate cortactin | | Authors: | Liu, W, MacGrath, S, Koleske, A.J, Boggon, T.J. | | Deposit date: | 2011-11-11 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Lysozyme contamination facilitates crystallization of a heterotrimeric cortactin-Arg-lysozyme complex.
Acta Crystallogr.,Sect.F, 68, 2012
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3UNE
 | | Mouse constitutive 20S proteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | | Deposit date: | 2011-11-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
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4K48
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | | Descriptor: | Leucine--tRNA ligase | | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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3UE8
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... | | Authors: | Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
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3UI6
 | | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
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3WOP
 | | Crystal structure of the DAP BII hexapeptide complex II | | Descriptor: | Angiotensin IV, GLYCEROL, ZINC ION, ... | | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | | Deposit date: | 2013-12-29 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
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3WUB
 | | The wild type crystal structure of b-1,4-Xylanase (XynAS9) from Streptomyces sp. 9 | | Descriptor: | Endo-1,4-beta-xylanase A, ZINC ION | | Authors: | Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. | | Deposit date: | 2014-04-23 | | Release date: | 2014-10-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
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4MDC
 | | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021, NYSGRC target 021389 | | Descriptor: | GLYCEROL, Putative glutathione S-transferase | | Authors: | Shabalin, I.G, Bacal, P, Cooper, D.R, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-22 | | Release date: | 2013-09-04 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021
To be Published
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3WUX
 | | Crystal structure of unsaturated glucuronyl hydrolase mutant D115N/K370S from Streptococcus agalactiae | | Descriptor: | 1,2-ETHANEDIOL, Unsaturated chondroitin disaccharide hydrolase | | Authors: | Nakamichi, Y, Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2014-05-08 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal structure of unsaturated glucuronyl hydrolase mutant D115N/K370S from Streptococcus agalactiae
to be published
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4M7Y
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... | | Authors: | Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-12 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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