PDB: 35712 resultsInfo pagesStatus searchChemie searchBIRD

---

1GRE	SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLUTATHIONE REDUCTASE, ... Authors: Karplus, P.A, Schulz, G.E. Deposit date: 1992-12-15 Release date: 1994-01-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2 Å) Cite: Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution. J.Mol.Biol., 210, 1989
5JAN	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening Descriptor: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ... Authors: Day, P.J. Deposit date: 2016-04-12 Release date: 2016-05-25 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016
5JAT	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening Descriptor: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Day, P.J. Deposit date: 2016-04-12 Release date: 2016-05-25 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016
3OE9	Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup Descriptor: (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera Authors: Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) Deposit date: 2010-08-12 Release date: 2010-10-27 Last modified: 2021-10-06 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
5R8I	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z210803634 in complex with INTERLEUKIN-1 BETA Descriptor: (1~{R})-1-(4-ethoxyphenyl)ethanamine, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1GRH	INHIBITION OF HUMAN GLUTATHIONE REDUCTASE BY THE NITROSOUREA DRUGS 1,3-BIS(2-CHLOROETHYL)-1-NITROSOUREA AND 1-(2-CHLOROETHYL)-3-(2-HYDROXYETHYL)-1-NITROSOUREA Descriptor: ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, ... Authors: Karplus, P.A, Schulz, G.E. Deposit date: 1992-12-15 Release date: 1994-01-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (3 Å) Cite: Inhibition of human glutathione reductase by the nitrosourea drugs 1,3-bis(2-chloroethyl)-1-nitrosourea and 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea. A crystallographic analysis. Eur.J.Biochem., 171, 1988
1GRA	SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLUTATHIONE REDUCTASE, ... Authors: Karplus, P.A, Schulz, G.E. Deposit date: 1992-12-15 Release date: 1994-01-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2 Å) Cite: Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution. J.Mol.Biol., 210, 1989
5R91	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL057 in complex with MAP kinase p38-alpha Descriptor: 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol, ACETATE ION, CHLORIDE ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.731 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
4NBR	Crystal Structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis ATCC 23457 Descriptor: GLYCEROL, Hypothetical 3-oxoacyl-(Acyl-carrier protein) reductase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-10-23 Release date: 2013-11-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Crystal Structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis ATCC 23457 TO BE PUBLISHED
5R9M	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13418a in complex with MAP kinase p38-alpha Descriptor: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.809 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5J77	Mutant glyceraldehyde dehydrogenase (F34M+S405N) from Thermoplasma acidophilum Descriptor: D-glyceraldehyde dehydrogenase (NADP(+)) Authors: Iermak, I, Mesters, J.R, Kuta Smatanova, I. Deposit date: 2016-04-06 Release date: 2017-05-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure of wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP To Be Published
5RA1	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08141b in complex with MAP kinase p38-alpha Descriptor: 2-phenoxyacetamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1RA0	Bacterial cytosine deaminase D314G mutant bound to 5-fluoro-4-(S)-hydroxy-3,4-dihydropyrimidine. Descriptor: (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION Authors: Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. Deposit date: 2003-10-31 Release date: 2004-10-05 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy. Protein Eng.Des.Sel., 17, 2004
4N1Z	Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. Deposit date: 2013-10-04 Release date: 2014-12-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.35 Å) Cite: A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin. Sci Transl Med, 6, 2014
4MOI	Pyranose 2-oxidase H450G/V546C double mutant with 3-fluorinated glucose Descriptor: 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase Authors: Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. Deposit date: 2013-09-12 Release date: 2014-02-05 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One, 9, 2014
5JE8	The crystal structure of Bacillus cereus 3-hydroxyisobutyrate dehydrogenase in complex with NAD Descriptor: 3-hydroxyisobutyrate dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... Authors: Park, S.C, Yoon, S.I. Deposit date: 2016-04-18 Release date: 2016-05-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural and biochemical characterization of the Bacillus cereus 3-hydroxyisobutyrate dehydrogenase Biochem.Biophys.Res.Commun., 474, 2016
1GU3	CBM4 structure and function Descriptor: ENDOGLUCANASE C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose Authors: Nurizzo, D, Notenboom, V, Davies, G.J. Deposit date: 2002-01-22 Release date: 2002-09-26 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules J.Mol.Biol., 319, 2002
1GUL	HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE Descriptor: GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-transferase A4 Authors: Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. Deposit date: 1998-06-10 Release date: 1999-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products J.Mol.Biol., 288, 1999
1GW1	Substrate distortion by beta-mannanase from Pseudomonas cellulosa Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ... Authors: Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J. Deposit date: 2002-03-01 Release date: 2002-09-05 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State Angew.Chem.Int.Ed.Engl., 41, 2002
1RQ6	Solution structure of ribosomal protein S17E from Methanobacterium Thermoautotrophicum, Northeast Structural Genomics Consortium Target TT802 / Ontario Center for Structural Proteomics Target Mth0803 Descriptor: 30S ribosomal protein S17e Authors: Wu, B, Yee, A, Huang, Y.J, Ramelot, T.A, Semesi, A, Jung, J.W, Edward, A, Lee, W, Kennedy, M.A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) Deposit date: 2003-12-04 Release date: 2004-12-14 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: The solution structure of ribosomal protein S17E from Methanobacterium thermoautotrophicum: a structural homolog of the FF domain. Protein Sci., 17, 2008
1GWD	Tri-iodide derivative of hen egg-white lysozyme Descriptor: 1,2-ETHANEDIOL, CARBON MONOXIDE, CHLORIDE ION, ... Authors: Evans, G, Bricogne, G. Deposit date: 2002-03-14 Release date: 2002-06-06 Last modified: 2017-06-28 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment Acta Crystallogr.,Sect.D, 58, 2002
3OBB	Crystal structure of a possible 3-hydroxyisobutyrate Dehydrogenase from pseudomonas aeruginosa pao1 Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... Authors: Tan, K, Singer, A.U, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Yakunin, A.F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2010-08-06 Release date: 2010-08-18 Last modified: 2017-10-25 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Biochemical and Structural Studies of Uncharacterized Protein PA0743 from Pseudomonas aeruginosa Revealed NAD+-dependent L-Serine Dehydrogenase. J.Biol.Chem., 287, 2012
1RI8	Crystal Structure of the Camelid Single Domain Antibody 1D2L19 in complex with Hen Egg White Lysozyme Descriptor: GLYCEROL, Lysozyme C, camelid ANTIBODY HEAVY CHAIN Authors: De Genst, E, Silence, K, Ghahroudi, M.A, Decanniere, K, Loris, R, Kinne, J, Wyns, L, Muyldermans, S. Deposit date: 2003-11-17 Release date: 2005-02-01 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Strong in vivo maturation compensates for structurally restricted H3 loops in antibody repertoires. J.Biol.Chem., 280, 2005
1GZ3	Molecular mechanism for the regulation of human mitochondrial NAD(P)+-dependent malic enzyme by ATP and fumarate Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FUMARIC ACID, MANGANESE (II) ION, ... Authors: Yang, Z, Lanks, C.W, Tong, L. Deposit date: 2002-05-14 Release date: 2003-05-22 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Molecular Mechanism for the Regulation of Human Mitochondrial Nad(P)+-Dependent Malic Enzyme by ATP and Fumarate Structure, 10, 2002
1GXV	Solution structure of lysozyme at low and high pressure Descriptor: LYSOZYME C Authors: Refaee, M, Akasaka, K, Williamson, M. Deposit date: 2002-04-12 Release date: 2003-03-27 Last modified: 2011-07-13 Method: SOLUTION NMR Cite: Pressure-Dependent Changes in the Solution Structure of Hen Egg-White Lysozyme J.Mol.Biol., 327, 2003

<942943944945946947948949950951952953954955956957>