PDB: 17012 resultsInfo pagesStatus searchChemie searchBIRD

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4ZBT	Streptomyces bingchenggensis aldolase-dehydratase in Schiff base complex with pyruvate Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Acetoacetate decarboxylase, DI(HYDROXYETHYL)ETHER, ... Authors: Mydy, L.S, Silvaggi, N.R. Deposit date: 2015-04-15 Release date: 2015-06-17 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Sbi00515, a Protein of Unknown Function from Streptomyces bingchenggensis, Highlights the Functional Versatility of the Acetoacetate Decarboxylase Scaffold. Biochemistry, 54, 2015
3OJX	Disulfide crosslinked cytochrome P450 reductase inactive Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P. Deposit date: 2010-08-23 Release date: 2011-02-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding. J.Biol.Chem., 286, 2011
3OR0	Semi-synthetic ribonuclease S: cyanylated homocysteine at position 13 Descriptor: Ribonuclease pancreatic Authors: Fafarman, A.T, Boxer, S.G. Deposit date: 2010-09-05 Release date: 2010-10-20 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Nitrile bonds as infrared probes of electrostatics in ribonuclease S. J.Phys.Chem.B, 114, 2010
3PX2	Structure of TylM1 from Streptomyces fradiae H123N mutant in complex with SAH and dTDP-Quip3N Descriptor: 1,2-ETHANEDIOL, N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... Authors: Holden, H.M, Carney, A.E. Deposit date: 2010-12-09 Release date: 2010-12-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Molecular Architecture of TylM1 from Streptomyces fradiae: An N,N-Dimethyltransferase Involved in the Production of dTDP-d-mycaminose . Biochemistry, 50, 2011
3Q15	Crystal Structure of RapH complexed with Spo0F Descriptor: GLYCEROL, MAGNESIUM ION, Response regulator aspartate phosphatase H, ... Authors: Parashar, V, Neiditch, M.B. Deposit date: 2010-12-16 Release date: 2011-02-23 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.192 Å) Cite: Structural basis of response regulator dephosphorylation by Rap phosphatases. Plos Biol., 9, 2011
3PI6	Crystal structure of the CFTR inhibitory factor Cif with the H177Y mutation Descriptor: hydrolase Authors: Bahl, C.D, Madden, D.R. Deposit date: 2010-11-05 Release date: 2011-09-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Pseudomonas aeruginosa Cif defines a distinct class of alpha/beta epoxide hydrolases utilizing a His/Tyr ring-opening pair. Protein Pept.Lett., 19, 2012
3OJW	Disulfide crosslinked cytochrome P450 reductase inactive Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-cytochrome P450 reductase Authors: Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P. Deposit date: 2010-08-23 Release date: 2011-02-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding. J.Biol.Chem., 286, 2011
1D0T	SOLUTION STRUCTURE OF A PHOSPHOROTHIOATE MODIFIED RNA BINDING SITE FOR PHAGE MS2 COAT PROTEIN Descriptor: PHOSPHOROTHIOATE SUBSTITUTED PHAGE MS2 RNA BINDING SITE Authors: Smith, J.S, Nikonowicz, E.P. Deposit date: 1999-09-14 Release date: 2000-05-24 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Phosphorothioate substitution can substantially alter RNA conformation. Biochemistry, 39, 2000
1D0U	SOLUTION STRUCTURE OF AN RNA BINDING SITE FOR PHAGE MS2 COAT PROTEIN Descriptor: PHAGE MS2 RNA BINDING SITE Authors: Smith, J.S, Nikonowicz, E.P. Deposit date: 1999-09-14 Release date: 2000-05-24 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Phosphorothioate substitution can substantially alter RNA conformation. Biochemistry, 39, 2000
3Q1X	Crystal structure of Entamoeba histolytica serine acetyltransferase 1 in complex with L-serine Descriptor: SERINE, SULFATE ION, Serine acetyltransferase Authors: Kumar, S, Gourinath, S. Deposit date: 2010-12-18 Release date: 2011-02-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Structural and biochemical studies of serine acetyltransferase reveal why the parasite Entamoeba histolytica cannot form cysteine synthase complex J.Biol.Chem., 2011
3N30	Crystal Structure of cubic Zn3-hUb (human ubiquitin) adduct Descriptor: Ubiquitin, ZINC ION Authors: Siliqi, D, Caliandro, R, Arnesano, F, Natile, G, Falini, G, Fermani, S, Belviso, B.D. Deposit date: 2010-05-19 Release date: 2011-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystallographic analysis of metal-ion binding to human ubiquitin. Chemistry, 17, 2011
3N32	The crystal structure of human Ubiquitin adduct with Zeise's salt Descriptor: PLATINUM (II) ION, Ubiquitin Authors: Siliqi, D, Caliandro, R, Falini, G, Fermani, S, Natile, G, Arnesano, F, Belviso, B.D. Deposit date: 2010-05-19 Release date: 2011-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.795 Å) Cite: Crystallographic analysis of metal-ion binding to human ubiquitin. Chemistry, 17, 2011
3MXG	Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L Descriptor: D-xylose, Shiga-like toxin 2 subunit B Authors: Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J. Deposit date: 2010-05-07 Release date: 2011-01-12 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2. Plos One, 5, 2010
3N4Z	Crystal structure of quintuple Arg-to-Lys variant of T. celer L30e Descriptor: 50S ribosomal protein L30e Authors: Chan, C.H, Wong, K.B. Deposit date: 2010-05-24 Release date: 2010-06-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3973 Å) Cite: Electrostatic contribution of surface charge residues to the stability of a thermophilic protein: benchmarking experimental and predicted pKa values Plos One, 7, 2012
4Z84	PKAB3 in complex with pyrrolidine inhibitor 34a Descriptor: 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Lund, B.A, Alam, K.A, Engh, R.A. Deposit date: 2015-04-08 Release date: 2015-12-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.554 Å) Cite: Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
4ZBO	Streptomyces bingchenggensis acetoacetate decarboxylase in non-covalent complex with potassium formate Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Acetoacetate decarboxylase, ... Authors: Mydy, L.S, Silvaggi, N.R. Deposit date: 2015-04-15 Release date: 2015-06-17 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Sbi00515, a Protein of Unknown Function from Streptomyces bingchenggensis, Highlights the Functional Versatility of the Acetoacetate Decarboxylase Scaffold. Biochemistry, 54, 2015
4ZGM	Crystal structure of Semaglutide peptide backbone in complex with the GLP-1 receptor extracellular domain Descriptor: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Glucagon-like peptide 1 receptor, Semaglutide peptide backbone; 8Aib,34R-GLP-1(7-37)-OH Authors: Reedtz-Runge, S. Deposit date: 2015-04-23 Release date: 2015-09-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide. J.Med.Chem., 58, 2015
3Q3B	6-Amino-4-(pyrimidin-4-yl)pyridones: Novel Glycogen Synthase Kinase-3 Inhibitors Descriptor: 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Glycogen synthase kinase-3 beta Authors: Pandit, J. Deposit date: 2010-12-21 Release date: 2011-06-15 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: 6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3β inhibitors Bioorg.Med.Chem.Lett., 21, 2011
3NEQ	Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1 Descriptor: SULFATE ION, Three-finger muscarinic toxin 7 Authors: Stura, E.A, Servent, D, Menez, R, Mournier, G, Menez, A, Fruchart-Gaillard, C. Deposit date: 2010-06-09 Release date: 2011-08-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors. Plos One, 7, 2012
4Z83	PKAB3 in complex with pyrrolidine inhibitor 47a Descriptor: 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha Authors: Lund, B.A, Alam, K.A, Engh, R.A. Deposit date: 2015-04-08 Release date: 2015-12-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
3NAN	SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg Descriptor: (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... Authors: Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. Deposit date: 2010-06-02 Release date: 2010-06-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
3PX3	Structure of TylM1 from Streptomyces fradiae H123A mutant in complex with SAH and dTDP-Quip3N Descriptor: 1,2-ETHANEDIOL, N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... Authors: Holden, H.M, Carney, A.E. Deposit date: 2010-12-09 Release date: 2010-12-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular Architecture of TylM1 from Streptomyces fradiae: An N,N-Dimethyltransferase Involved in the Production of dTDP-d-mycaminose . Biochemistry, 50, 2011
3NHN	Crystal structure of the SRC-family kinase HCK SH3-SH2-linker regulatory region Descriptor: Tyrosine-protein kinase HCK Authors: Alvarado, J.J, Betts, L, Moroco, J.A, Smithgall, T.E, Yeh, J.I. Deposit date: 2010-06-14 Release date: 2010-09-01 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Crystal Structure of the Src Family Kinase Hck SH3-SH2 Linker Regulatory Region Supports an SH3-dominant Activation Mechanism. J.Biol.Chem., 285, 2010
3NAM	SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg Descriptor: (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... Authors: Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. Deposit date: 2010-06-02 Release date: 2010-06-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs J.Biol.Chem., 285, 2010
3N4Y	Crystal structure of wild-type T. celer L30e in low ionic strength condition without precipitant Descriptor: 50S ribosomal protein L30e Authors: Chan, C.H, Wong, K.B. Deposit date: 2010-05-24 Release date: 2010-06-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Electrostatic contribution of surface charge residues to the stability of a thermophilic protein: benchmarking experimental and predicted pKa values Plos One, 7, 2012

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