4DU5
 
 | | Crystal structure of PfkB protein from Polaromonas sp. JS666 | | Descriptor: | CHLORIDE ION, PfkB | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hellerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-21 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of PfkB protein from Polaromonas sp. JS666
To be Published
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1PU8
 | | Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 1,N6-ethenoadenine | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE, 3H-IMIDAZO[2,1-I]PURINE, BETA-MERCAPTOETHANOL | | Authors: | Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T. | | Deposit date: | 2003-06-24 | | Release date: | 2003-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases
Embo J., 22, 2003
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3O0J
 | | PDE4B In complex with ligand an2898 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... | | Authors: | Alley, M.R.K, Zhou, Y. | | Deposit date: | 2010-07-19 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center.
Febs Lett., 586, 2012
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4DOE
 | | The liganded structure of Cbescii CelA GH9 module | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1,4-beta-glucanase, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2012-02-09 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Revealing nature's cellulase diversity: the digestion mechanism of Caldicellulosiruptor bescii CelA.
Science, 342, 2013
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3SZL
 | | IspH:Ligand Mutants - wt 70sec | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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3T3Q
 | | Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | DeVore, N.M, Scott, E.E. | | Deposit date: | 2011-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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4NCY
 | | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-10-25 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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3SWD
 | | E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 | | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-07-13 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
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3HPF
 | | Crystal structure of the mutant Y90F of divergent galactarate dehydratase from Oceanobacillus iheyensis complexed with Mg and galactarate | | Descriptor: | D-galactaric acid, MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-06-04 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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5D4C
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2MQL
 | | Structural Investigation of hnRNP L | | Descriptor: | Protein Hnrnpl | | Authors: | Blatter, M, Allain, F. | | Deposit date: | 2014-06-24 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Signature of the Five-Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein.
J.Mol.Biol., 427, 2015
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3TG6
 | | Crystal Structure of Influenza A Virus nucleoprotein with Ligand | | Descriptor: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone | | Authors: | Pearce, B.C, Lewis, H.A, McDonnell, P.A, Steinbacher, S, Kiefersauer, R, Mortl, M, Maskos, K, Edavettal, S, Baldwin, E.T, Langley, D.R. | | Deposit date: | 2011-08-17 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors
To be Published
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1PU7
 | | Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 3,9-dimethyladenine | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE, 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM, BETA-MERCAPTOETHANOL | | Authors: | Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T. | | Deposit date: | 2003-06-24 | | Release date: | 2003-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases
Embo J., 22, 2003
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2G0G
 | | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | | Descriptor: | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | | Authors: | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | | Deposit date: | 2006-02-13 | | Release date: | 2006-05-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
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1V7M
 | | Human Thrombopoietin Functional Domain Complexed To Neutralizing Antibody TN1 Fab | | Descriptor: | Monoclonal TN1 Fab Heavy Chain, Monoclonal TN1 Fab Light Chain, Thrombopoietin | | Authors: | Feese, M.D, Tamada, T, Kato, Y, Maeda, Y, Hirose, M, Matsukura, Y, Shigematsu, H, Kato, T, Miyazaki, H, Kuroki, R. | | Deposit date: | 2003-12-18 | | Release date: | 2004-03-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of the receptor-binding domain of human thrombopoietin determined by complexation with a neutralizing antibody fragment
Proc.Natl.Acad.Sci.USA, 101, 2004
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3MJI
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4FGS
 | | Crystal structure of a probable dehydrogenase protein | | Descriptor: | Probable dehydrogenase protein, SULFATE ION | | Authors: | Eswaramoorthy, S, Rice, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-06-04 | | Release date: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of a probable dehydrogenase protein
To be Published
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1MGN
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1M4S
 | | Biosynthetic thiolase, Cys89 acetylated, unliganded form | | Descriptor: | Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION | | Authors: | Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K. | | Deposit date: | 2002-07-03 | | Release date: | 2002-11-29 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The catalytic cycle of biosynthetic thiolase: A conformational
journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
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1RIO
 | | Structure of bacteriophage lambda cI-NTD in complex with sigma-region4 of Thermus aquaticus bound to DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 27-MER, CALCIUM ION, ... | | Authors: | Jain, D, Nickels, B.E, Sun, L, Hochschild, A, Darst, S.A. | | Deposit date: | 2003-11-17 | | Release date: | 2004-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a ternary transcription activation complex.
Mol.Cell, 13, 2004
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2JH1
 | | Crystal structure of Toxoplasma gondii micronemal protein 1 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S. | | Deposit date: | 2007-02-19 | | Release date: | 2007-05-22 | | Last modified: | 2019-01-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii.
Embo J., 26, 2007
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2JFM
 | | CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (UNLIGANDED FORM) | | Descriptor: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE | | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-02-02 | | Release date: | 2007-02-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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5DXB
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 and Estradiol | | Descriptor: | CHLORIDE ION, ESTRADIOL, Estrogen receptor, ... | | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Tajkhorshid, E, Greene, G.L, Moore, T.W. | | Deposit date: | 2015-09-23 | | Release date: | 2016-07-27 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew. Chem. Int. Ed. Engl., 55, 2016
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4GF7
 | | Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO), unliganded form | | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Sawa, Y, Yagi, T. | | Deposit date: | 2012-08-03 | | Release date: | 2013-08-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
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1S2V
 | | Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II) | | Descriptor: | MAGNESIUM ION, Phosphoenolpyruvate phosphomutase | | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-01-11 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
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