PDB: 45118 resultsInfo pagesStatus searchChemie searchBIRD

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4N6H	1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target) Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ... Authors: Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) Deposit date: 2013-10-12 Release date: 2013-12-25 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular control of delta-opioid receptor signalling. Nature, 506, 2014
4OMH	Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION Authors: Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. Deposit date: 2014-01-27 Release date: 2014-06-04 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.64 Å) Cite: The first structure of a bacterial diterpene cyclase: CotB2. Acta Crystallogr.,Sect.D, 70, 2014
1YAO	CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS Descriptor: LYSOZYME, SODIUM ION Authors: Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K. Deposit date: 1995-09-29 Release date: 1996-04-03 Last modified: 2021-11-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Contribution of hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants. J.Mol.Biol., 254, 1995
4NCN	Crystal structure of eukaryotic translation initiation factor eIF5B (517-858) from Chaetomium thermophilum in complex with GTP Descriptor: ACETIC ACID, Eukaryotic translation initiation factor 5B-like protein, GLYCEROL, ... Authors: Kuhle, B, Ficner, R. Deposit date: 2013-10-24 Release date: 2014-07-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.87 Å) Cite: eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining. Embo J., 33, 2014
4OSX	STRUCTURE of UNCLEAVED GLYCINE-BOUND HUMAN L-ASPARAGINASE PROTEIN Descriptor: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION Authors: Nomme, J, Lavie, A. Deposit date: 2014-02-13 Release date: 2014-03-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Free Glycine Accelerates the Autoproteolytic Activation of Human Asparaginase. Chem.Biol., 20, 2013
4OMG	Crystal structure of the bacterial diterpene cyclase COTB2 Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION Authors: Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. Deposit date: 2014-01-27 Release date: 2014-06-04 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.64 Å) Cite: The first structure of a bacterial diterpene cyclase: CotB2. Acta Crystallogr.,Sect.D, 70, 2014
4KBF	two different open conformations of the helicase core of the RNA helicase Hera Descriptor: ADENOSINE MONOPHOSPHATE, Heat resistant RNA dependent ATPase, SODIUM ION, ... Authors: Rudolph, M.G, Klostermeier, D. Deposit date: 2013-04-23 Release date: 2013-07-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera. Biopolymers, 99, 2013
4KLD	DNA polymerase beta matched substrate complex with Ca2+, 0 s Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ... Authors: Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. Deposit date: 2013-05-07 Release date: 2013-07-17 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.916 Å) Cite: Observing a DNA polymerase choose right from wrong. Cell(Cambridge,Mass.), 154, 2013
4TMW	Translation initiation factor eIF5B (517-858) from C. thermophilum, bound to GTP and Sodium Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... Authors: Kuhle, B, Ficner, R. Deposit date: 2014-06-02 Release date: 2014-09-24 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: A monovalent cation acts as structural and catalytic cofactor in translational GTPases. Embo J., 33, 2014
3MAX	Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ... Authors: Skene, R.J, Jennings, A.J. Deposit date: 2010-03-24 Release date: 2010-04-28 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides. Bioorg.Med.Chem.Lett., 20, 2010
3MBY	Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer Descriptor: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Beard, W.A, Hou, E.W, Pedersen, L.C, Prasad, R, Wilson, S.H. Deposit date: 2010-03-26 Release date: 2010-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Mutagenic conformation of 8-oxo-7,8-dihydro-2'-dGTP in the confines of a DNA polymerase active site. Nat.Struct.Mol.Biol., 17, 2010
3MAO	Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1) Descriptor: FE (III) ION, MALONATE ION, Methionine-R-sulfoxide reductase B1, ... Authors: Chaikuad, A, Shafqat, N, Yue, W.W, Savitsky, P, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) Deposit date: 2010-03-24 Release date: 2010-04-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1) To be Published
4PDR	Crystal Structure of a K+ selective NaK mutant in Barium and Sodium Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ... Authors: Lam, Y, Zeng, W, Sauer, D.B, Jiang, Y. Deposit date: 2014-04-21 Release date: 2014-07-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.85 Å) Cite: High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter To Be Published
4PHE	Structure of human DNA polymerase beta complexed with T in the template base paired with incoming non-hydrolyzable GTP Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... Authors: Koag, M.C, Lee, S. Deposit date: 2014-05-06 Release date: 2015-05-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.15 Å) Cite: The spontaneous base substitution mechanisms of human DNA polymerase beta To Be Published
4NEC	Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis Descriptor: 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ... Authors: Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y. Deposit date: 2013-10-29 Release date: 2014-01-15 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
1XOE	N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ... Authors: Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. Deposit date: 2004-10-06 Release date: 2005-01-11 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg.Med.Chem.Lett., 15, 2005
4MM7	Crystal structure of LeuBAT (delta13 mutant) in complex with desvenlafaxine Descriptor: 4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, SODIUM ION, Transporter Authors: Wang, H, Gouaux, E. Deposit date: 2013-09-08 Release date: 2013-10-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Structural basis for action by diverse antidepressants on biogenic amine transporters. Nature, 503, 2013
4TMV	Translation initiation factor eIF5B (517-858) from C. thermophilum, bound to GTPgammaS and Sodium Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... Authors: Kuhle, B, Ficner, R. Deposit date: 2014-06-02 Release date: 2014-09-24 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.53 Å) Cite: A monovalent cation acts as structural and catalytic cofactor in translational GTPases. Embo J., 33, 2014
4RQ5	Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 60 s Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CHLORIDE ION, ... Authors: Vyas, R, Suo, Z. Deposit date: 2014-10-31 Release date: 2015-04-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc., 137, 2015
4NM1	Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position Descriptor: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... Authors: Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. Deposit date: 2013-11-14 Release date: 2014-01-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.415 Å) Cite: Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
4NM2	Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-G at N-1 position and G-C at N position Descriptor: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... Authors: Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. Deposit date: 2013-11-14 Release date: 2014-01-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.524 Å) Cite: Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
4PPX	DNA Polymerase Beta E295K with Spiroiminodihydantoin in Templating Position Descriptor: 5'-D(*CP*CP*GP*AP*CP*(SDH)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(*GP*TP*CP*GP*G)-3', ... Authors: Eckenroth, B.E, Doublie, S. Deposit date: 2014-02-27 Release date: 2014-04-02 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Crystal Structure of DNA Polymerase beta with DNA Containing the Base Lesion Spiroiminodihydantoin in a Templating Position. Biochemistry, 53, 2014
4PH5	Structure of human DNA polymerase beta complexed with a nicked DNA containing a AC at N-1 position and GC at N position Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... Authors: Koag, M.C, Lee, S. Deposit date: 2014-05-04 Release date: 2015-05-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.55 Å) Cite: The spontaneous base substitution mechanisms of human DNA polymerase beta To Be Published
4PHD	Structure of human DNA polymerase beta complexed with A in the template base paired with incoming non-hydrolyzable CTP and MANGANESE Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... Authors: Koag, M.C, Lee, S. Deposit date: 2014-05-06 Release date: 2014-09-24 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.21 Å) Cite: The spontaneous replication error and the mismatch discrimination mechanisms of human DNA polymerase beta. Nucleic Acids Res., 42, 2015
3P8O	Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335 Descriptor: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ... Authors: Lemke, C.T. Deposit date: 2010-10-14 Release date: 2011-01-26 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. J.Biol.Chem., 286, 2011

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