4GC6
 
 | | Crystal structure of Dpo4 in complex with N-MC-dAMP opposite dT | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S, Zafar, M.K. | | Deposit date: | 2012-07-29 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.895 Å) | | Cite: | Differential furanose selection in the active sites of archaeal DNA polymerases probed by fixed-conformation nucleotide analogues.
Biochemistry, 51, 2012
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4BY5
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4A5S
 | | CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ... | | Authors: | Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes.
Bioorg.Med.Chem.Lett., 22, 2012
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4DFX
 | | Crystal structure of myristoylated K7C catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP | | Descriptor: | GLYCEROL, MAGNESIUM ION, MYRISTIC ACID, ... | | Authors: | Bastidas, A.C, Steichen, J.M, Taylor, S.S. | | Deposit date: | 2012-01-24 | | Release date: | 2012-06-06 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
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437D
 | | CRYSTAL STRUCTURE OF AN RNA PSEUDOKNOT FROM BEET WESTERN YELLOW VIRUS INVOLVED IN RIBOSOMAL FRAMESHIFTING | | Descriptor: | MAGNESIUM ION, RNA PSEUDOKNOT, SODIUM ION | | Authors: | Su, L, Chen, L, Egli, M, Berger, J.M, Rich, A. | | Deposit date: | 1998-11-24 | | Release date: | 1998-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Minor groove RNA triplex in the crystal structure of a ribosomal frameshifting viral pseudoknot.
Nat.Struct.Biol., 6, 1999
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4A4M
 | | Crystal structure of the light-activated constitutively active N2C, M257Y,D282C rhodopsin mutant in complex with a peptide resembling the C-terminus of the Galpha-protein subunit (GaCT) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(T) SUBUNIT ALPHA-3, ... | | Authors: | Deupi, X, Edwards, P, Singhal, A, Nickle, B, Oprian, D.D, Schertler, G.F.X, Standfuss, J. | | Deposit date: | 2011-10-17 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Stabilized G Protein Binding Site in the Structure of Constitutively Active Metarhodopsin-II.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DH8
 | | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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3ZLD
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3ZNU
 | | Crystal structure of ClcF in crystal form 2 | | Descriptor: | 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION, ... | | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | | Deposit date: | 2013-02-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Mol.Microbiol., 88, 2013
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4CC3
 | | Complex of human Tuba C-terminal SH3 domain and Mena proline-rich peptide - H3 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, DYNAMIN-BINDING PROTEIN, ... | | Authors: | Polle, L, Rigano, L, Julian, R, Ireton, K, Schubert, W.-D. | | Deposit date: | 2013-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Details of Human Tuba Recruitment by Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading.
Structure, 22, 2014
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4BX3
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4CC2
 | | Complex of human Tuba C-terminal SH3 domain with human N-WASP proline- rich peptide - P212121 | | Descriptor: | CHLORIDE ION, DYNAMIN-BINDING PROTEIN, GLYCEROL, ... | | Authors: | Polle, L, Rigano, L, Julian, R, Ireton, K, Schubert, W.-D. | | Deposit date: | 2013-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Details of Human Tuba Recruitment by Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading.
Structure, 22, 2014
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4BX0
 | | Crystal Structure of a Monomeric Variant of murine Chronophin (Pyridoxal Phosphate phosphatase) | | Descriptor: | GLYCEROL, MAGNESIUM ION, PYRIDOXAL PHOSPHATE PHOSPHATASE | | Authors: | Kestler, C, Knobloch, G, Gohla, A, Schindelin, H. | | Deposit date: | 2013-07-08 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Chronophin Dimerization is Required for Proper Positioning of its Substrate Specificity Loop
J.Biol.Chem., 289, 2014
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4C1R
 | | Bacteroides thetaiotaomicron VPI-5482 mannosyl-6-phosphatase Bt3783 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MANNOSYL-6-PHOSPHATASE | | Authors: | Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J. | | Deposit date: | 2013-08-13 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
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4ARB
 | | Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ... | | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4A23
 | | Mus musculus Acetylcholinesterase in complex with racemic C5685 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | | Authors: | Berg, L, Andersson, C.D, Artrursson, E, Hornberg, A, Tunemalm, A.K, Linusson, A, Ekstrom, F. | | Deposit date: | 2011-09-22 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.
Plos One, 6, 2011
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4AR2
 | | Dodecahedron formed of penton base protein from adenovirus Ad3 | | Descriptor: | CALCIUM ION, FIBER PROTEIN, L2 PROTEIN III (PENTON BASE) | | Authors: | Burmeister, W.P, Szolajska, E, Zochowska, M, Nerlo, B, Andreev, I, Schoehn, G, Andrieu, J.-P, Fender, P, Naskalska, A, Zubieta, C, Cusack, S, Chroboczek, J. | | Deposit date: | 2012-04-20 | | Release date: | 2012-10-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The Structural Basis for the Integrity of Adenovirus Ad3 Dodecahedron.
Plos One, 7, 2012
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4A16
 | | Structure of mouse Acetylcholinesterase complex with Huprine derivative | | Descriptor: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography.
Chemmedchem, 7, 2012
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4A5V
 | | Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 | | Descriptor: | MICRONEMAL PROTEIN 4 | | Authors: | Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii.
J.Biol.Chem., 287, 2012
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4CC7
 | | Crystal structure of the sixth or C-terminal SH3 domain of human Tuba in complex with proline-rich peptides of N-WASP. Space group P41 | | Descriptor: | CHLORIDE ION, DYNAMIN-BINDING PROTEIN, GLYCEROL, ... | | Authors: | Polle, L, Rigano, L, Julian, R, Ireton, K, Schubert, W.-D. | | Deposit date: | 2013-10-18 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Details of Human Tuba Recruitment by Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading.
Structure, 22, 2014
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4C4A
 | | Crystal structure of mouse protein arginine methyltransferase 7 in complex with SAH | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, PROTEIN ARGININE N-METHYLTRANSFERASE 7, ... | | Authors: | Cura, V, Troffer-Charlier, N, Bonnefond, L, Wurtz, J.M, Cavarelli, J. | | Deposit date: | 2013-09-02 | | Release date: | 2014-07-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insight Into Arginine Methylation by the Mouse Protein Arginine Methyltransferase 7: A Zinc Finger Freezes the Mimic of the Dimeric State Into a Single Active Site.
Acta Crystallogr.,Sect.D, 70, 2014
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4C91
 | | Evidence that GH115 alpha-glucuronidase activity is dependent on conformational flexibility | | Descriptor: | ALPHA-GLUCURONIDASE GH115, CITRATE ANION, D-glucuronic acid | | Authors: | Rogowski, A, Basle, A, Farinas, C.S, Solovyova, A, Mortimer, J.C, Dupree, P, Gilbert, H.J, Bolam, D.N. | | Deposit date: | 2013-10-02 | | Release date: | 2013-11-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Evidence that Gh115 Alpha-Glucuronidase Activity is Dependent on Conformational Flexibility
J.Biol.Chem., 289, 2014
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4BY4
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4GVD
 | | Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with Syndecan1 Peptide | | Descriptor: | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ... | | Authors: | Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J. | | Deposit date: | 2012-08-30 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
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4B85
 | | Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, ACETYLCHOLINESTERASE, ... | | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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