PDB: 47902 resultsInfo pagesStatus searchChemie searchBIRD

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4Y3P	Endothiapepsin in complex with fragment 17 Descriptor: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL Authors: Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
5DT5	Crystal structure of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7 in space group P21 Descriptor: Beta-glucosidase, SULFATE ION Authors: Zanphorlin, L.M, Giuseppe, P.O, Tonoli, C.C.C, Murakami, M.T. Deposit date: 2015-09-17 Release date: 2016-04-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Oligomerization as a strategy for cold adaptation: Structure and dynamics of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7. Sci Rep, 6, 2016
4Y42	Cyanase (CynS) from Serratia proteamaculans Descriptor: Cyanate hydratase, GLYCEROL Authors: Butryn, A, Hopfner, K.-P. Deposit date: 2015-02-10 Release date: 2015-04-08 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Serendipitous crystallization and structure determination of cyanase (CynS) from Serratia proteamaculans Acta Crystallogr.,Sect.F, 71, 2015
4GYI	Crystal structure of the Rio2 kinase-ADP/Mg2+-phosphoaspartate complex from Chaetomium thermophilum Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N. Deposit date: 2012-09-05 Release date: 2012-10-17 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit. Nat.Struct.Mol.Biol., 19, 2012
4Y3M	Endothiapepsin in complex with fragment 103 Descriptor: 2-(4-fluorophenyl)acetohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y41	Endothiapepsin in complex with fragment 112 Descriptor: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.403 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4G	Endothiapepsin in complex with fragment B53 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.439 Å) Cite: Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
4Y4T	Endothiapepsin in complex with fragment 114 Descriptor: 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.301 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
5DVB	Crystal Structure of S. cerevisiae TSA2 Descriptor: Tsa2p Authors: Nielsen, M.H, Kidmose, R.T, Jenner, L.B. Deposit date: 2015-09-21 Release date: 2016-01-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure of TSA2 reveals novel features of the active-site loop of peroxiredoxins. Acta Crystallogr D Struct Biol, 72, 2016
4Y3G	Endothiapepsin in complex with fragment 285 Descriptor: Endothiapepsin, GLYCEROL, N-[3-(aminomethyl)phenyl]acetamide Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
5DVA	Fragments bound to the OXA-48 beta-lactamase: Compound 1 Descriptor: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION Authors: Lund, B.A, Christopeit, T, Leiros, H.-K.S. Deposit date: 2015-09-21 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.50003886 Å) Cite: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J.Med.Chem., 59, 2016
4Y54	Endothiapepsin in complex with fragment 56 Descriptor: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4H1U	Nucleotide-free human dynamin-1-like protein GTPase-GED fusion Descriptor: CITRATE ANION, Dynamin-1-like protein Authors: Wenger, J, Klinglmayr, E, Puehringer, S, Goettig, P. Deposit date: 2012-09-11 Release date: 2013-08-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses. Plos One, 8, 2013
4Y3X	Endothiapepsin in complex with fragment 171 Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5E	Endothiapepsin in complex with fragment 268 Descriptor: (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.116 Å) Cite: Crystallographic Fragment Sreening of an Entire Library to be published
2F9U	HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane Descriptor: 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... Authors: Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. Deposit date: 2005-12-06 Release date: 2006-06-06 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid. Bioorg.Med.Chem.Lett., 16, 2006
4Y4A	Endothiapepsin in complex with fragment 286 Descriptor: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-03-02 Method: X-RAY DIFFRACTION (1.278 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
2XVQ	Human serum albumin complexed with dansyl-L-sarcosine Descriptor: DANSYL-L-SARCOSINE, SERUM ALBUMIN Authors: Ryan, A.J, Curry, S. Deposit date: 2010-10-27 Release date: 2010-11-10 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin. J.Struct.Biol., 174, 2011
2FLQ	Crystal Structure of Nitric Oxide Synthase from Geobacillus Stearothermophilus (ATCC 12980) complexed with L-arginine Descriptor: ARGININE, Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sudhamsu, J, Crane, B.R. Deposit date: 2006-01-06 Release date: 2006-01-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structure and Reactivity of a Thermostable Prokaryotic Nitric-oxide Synthase That Forms a Long-lived Oxy-Heme Complex. J.Biol.Chem., 281, 2006
3EVS	Crystal structure of the GDF-5:BMP receptor IB complex. Descriptor: Bone morphogenetic protein receptor type-1B, Growth/differentiation factor 5 Authors: Kotzsch, A, Mueller, T.D. Deposit date: 2008-10-13 Release date: 2009-03-10 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure analysis reveals a spring-loaded latch as molecular mechanism for GDF-5-type I receptor specificity. Embo J., 28, 2009
4Y5N	Endothiapepsin in complex with fragment 337 Descriptor: 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... Authors: Fu, K, Heine, A, Klebe, G. Deposit date: 2015-02-11 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4H2I	Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP Descriptor: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ... Authors: Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. Deposit date: 2012-09-12 Release date: 2012-11-28 Last modified: 2018-06-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. Structure, 20, 2012
2XBR	Raman crystallography of Hen White Egg Lysozyme - Low X-ray dose (0.2 MGy) Descriptor: CHLORIDE ION, LYSOZYME C Authors: Carpentier, P, Royant, A, Weik, M, Bourgeois, D. Deposit date: 2010-04-14 Release date: 2010-11-24 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
2XY4	X-RAY STRUCTURE OF ZNUA-WT FROM SALMONELLA ENTERICA Descriptor: SULFATE ION, TRIETHYLENE GLYCOL, ZINC ABC TRANSPORTER, ... Authors: Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. Deposit date: 2010-11-15 Release date: 2011-04-27 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.71 Å) Cite: The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines. J.Mol.Biol., 409, 2011
4H0Z	Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl muramic acid at 2.0 Angstrom resolution Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-muramic acid, rRNA N-glycosidase Authors: Singh, A, Pandey, S, Kushwaha, G.S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. Deposit date: 2012-09-10 Release date: 2012-10-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl muramic acid at 2.0 Angstrom resolution TO BE PUBLISHED

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