PDB: 223790 resultsInfo pagesStatus searchChemie searchBIRD

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3R3Z	Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION Authors: Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. Deposit date: 2011-03-16 Release date: 2011-05-04 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
3G9L	JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10 Authors: Jacobs, M.D. Deposit date: 2009-02-13 Release date: 2009-04-28 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
3R7D	Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis Descriptor: Aspartate carbamoyltransferase, PHOSPHATE ION Authors: Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R. Deposit date: 2011-03-22 Release date: 2011-06-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.196 Å) Cite: Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis. J.Mol.Biol., 411, 2011
2PVN	Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 Descriptor: Casein kinase II subunit alpha, N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE Authors: Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. Deposit date: 2007-05-09 Release date: 2008-05-13 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
3R7R	Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase Descriptor: 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Authors: Murray, J.M, Wiesmann, C. Deposit date: 2011-03-22 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
3R7X	Crystal Structure Analysis of a Quinazolinedione sulfonamide bound to human GluR2: A Novel Class of Competitive AMPA Receptor Antagonists with Oral Activity Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide Authors: Kallen, J. Deposit date: 2011-03-23 Release date: 2011-05-18 Last modified: 2017-07-26 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Quinazolinedione sulfonamides: A novel class of competitive AMPA receptor antagonists with oral activity. Bioorg.Med.Chem.Lett., 21, 2011
2PXE	Variant 4 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle Descriptor: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein Authors: Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S. Deposit date: 2007-05-14 Release date: 2007-08-07 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: A General Strategy to Solve the Phase Problem in RNA Crystallography. Structure, 15, 2007
3FZ1	Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2) Descriptor: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, Cell division protein kinase 2 Authors: Kurumbail, R.G, Caspers, N. Deposit date: 2009-01-23 Release date: 2009-04-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. Bioorg.Med.Chem.Lett., 19, 2009
3R9G	Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Coenzyme A and processed Microcin C7 antibiotic Descriptor: 5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine, COENZYME A, MccE protein Authors: Nair, S.K, Agarwal, V. Deposit date: 2011-03-25 Release date: 2011-04-27 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase. J.Biol.Chem., 286, 2011
2PVH	Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 Descriptor: Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE Authors: Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. Deposit date: 2007-05-09 Release date: 2008-05-13 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. Bioorg.Med.Chem.Lett., 17, 2007
3G1B	The structure of the M53A mutant of Caulobacter crescentus clpS protease adaptor protein in complex with WLFVQRDSKE peptide Descriptor: 10-residue peptide, ATP-dependent Clp protease adapter protein clpS, MAGNESIUM ION Authors: Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A. Deposit date: 2009-01-29 Release date: 2009-04-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.448 Å) Cite: Molecular basis of substrate selection by the N-end rule adaptor protein ClpS. Proc.Natl.Acad.Sci.USA, 106, 2009
2PXV	Variant 6 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle Descriptor: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein Authors: Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S. Deposit date: 2007-05-14 Release date: 2007-08-07 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (2 Å) Cite: A General Strategy to Solve the Phase Problem in RNA Crystallography. Structure, 15, 2007
2PZX	Structure of the methuselah ectodomain with peptide inhibitor Descriptor: G-protein coupled receptor Mth Authors: West Jr, A.P, Ja, W.W, Delker, S.L, Bjorkman, P.J, Benzer, S, Roberts, R.W. Deposit date: 2007-05-18 Release date: 2007-08-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Extension of Drosophila melanogaster life span with a GPCR peptide inhibitor. Nat.Chem.Biol., 3, 2007
2Q0E	Terminal uridylyl transferase 4 from Trypanosoma brucei with bound GTP Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA uridylyl transferase Authors: Stagno, J, Luecke, H. Deposit date: 2007-05-21 Release date: 2007-08-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases. Proc.Natl.Acad.Sci.Usa, 104, 2007
3RC6	Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease Descriptor: NS3/4A, ZINC ION Authors: Schiffer, C.A, Romano, K.P. Deposit date: 2011-03-30 Release date: 2011-05-04 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease. J.Virol., 85, 2011
3GDU	Crystal structure of DegS H198P/D320A mutant modified by DFP and in complex with YRF peptide Descriptor: DegS protease, YRF peptide Authors: Sohn, J, Grant, R.A, Sauer, R.T. Deposit date: 2009-02-24 Release date: 2009-03-31 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (3 Å) Cite: OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism. Structure, 17, 2009
2Q0D	Terminal uridylyl transferase 4 from Trypanosoma brucei with bound ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA uridylyl transferase Authors: Stagno, J, Luecke, H. Deposit date: 2007-05-21 Release date: 2007-08-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases. Proc.Natl.Acad.Sci.Usa, 104, 2007
2Q8G	Structure of pyruvate dehydrogenase kinase isoform 1 in complex with glucose-lowering drug AZD7545 Descriptor: 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1 Authors: Kato, M, Li, J, Chuang, J.L, Chuang, D.T. Deposit date: 2007-06-10 Release date: 2007-07-24 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol. Structure, 15, 2007
3GG2	Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate Descriptor: Sugar dehydrogenase, UDP-glucose/GDP-mannose dehydrogenase family, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID Authors: Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2009-02-27 Release date: 2009-03-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate To be Published
3G87	Crystal structure of malonyl CoA-acyl carrier protein transacylase from Burkholderia pseudomallei using dried seaweed as nucleant or protease Descriptor: Malonyl CoA-acyl carrier protein transacylase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-02-11 Release date: 2009-02-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of malonyl CoA-acyl carrier protein transacylase from Burkholderia pseudomallei using dried seaweed as nucleant or protease To be Published
2PNW	Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens Descriptor: Membrane-bound lytic murein transglycosylase, SULFATE ION Authors: Bonanno, J.B, Dickey, M, Bain, K.T, Iizuka, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2007-04-25 Release date: 2007-05-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens. To be Published
3G9N	JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10 Authors: Jacobs, M.D. Deposit date: 2009-02-13 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
3GJB	CytC3 with Fe(II) and alpha-ketoglutarate Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, CytC3, ... Authors: Wong, C, Drennan, C.L. Deposit date: 2009-03-08 Release date: 2009-04-14 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural analysis of an open active site conformation of nonheme iron halogenase CytC3 J.Am.Chem.Soc., 131, 2009
2PQK	X-ray crystal structure of human Mcl-1 in complex with Bim BH3 Descriptor: Bim BH3 peptide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... Authors: Bare, E, Grant, R.A, Keating, A.E. Deposit date: 2007-05-02 Release date: 2007-06-19 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
2Q6J	Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand Descriptor: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide Authors: Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A. Deposit date: 2007-06-05 Release date: 2007-06-26 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands Chem.Biol., 14, 2007

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