PDB: 35712 件ウェブページステータス検索Chemie searchBIRD

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1GRE	SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLUTATHIONE REDUCTASE, ... 著者 Karplus, P.A, Schulz, G.E. 登録日 1992-12-15 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ... 著者 Day, P.J. 登録日 2016-04-12 公開日 2016-05-25 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 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 分子名称: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Day, P.J. 登録日 2016-04-12 公開日 2016-05-25 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 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 分子名称: (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 著者 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) 登録日 2010-08-12 公開日 2010-10-27 最終更新日 2021-10-06 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 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 分子名称: (1~{R})-1-(4-ethoxyphenyl)ethanamine, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 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 分子名称: ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, ... 著者 Karplus, P.A, Schulz, G.E. 登録日 1992-12-15 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 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 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLUTATHIONE REDUCTASE, ... 著者 Karplus, P.A, Schulz, G.E. 登録日 1992-12-15 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol, ACETATE ION, CHLORIDE ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.731 Å) 主引用文献 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 分子名称: GLYCEROL, Hypothetical 3-oxoacyl-(Acyl-carrier protein) reductase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-10-23 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 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 分子名称: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.809 Å) 主引用文献 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 分子名称: D-glyceraldehyde dehydrogenase (NADP(+)) 著者 Iermak, I, Mesters, J.R, Kuta Smatanova, I. 登録日 2016-04-06 公開日 2017-05-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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 分子名称: 2-phenoxyacetamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 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. 分子名称: (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION 著者 Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. 登録日 2003-10-31 公開日 2004-10-05 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 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 分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. 登録日 2013-10-04 公開日 2014-12-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 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 分子名称: 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase 著者 Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. 登録日 2013-09-12 公開日 2014-02-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 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 分子名称: 3-hydroxyisobutyrate dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... 著者 Park, S.C, Yoon, S.I. 登録日 2016-04-18 公開日 2016-05-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural and biochemical characterization of the Bacillus cereus 3-hydroxyisobutyrate dehydrogenase Biochem.Biophys.Res.Commun., 474, 2016
1GU3	CBM4 structure and function 分子名称: 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 著者 Nurizzo, D, Notenboom, V, Davies, G.J. 登録日 2002-01-22 公開日 2002-09-26 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-transferase A4 著者 Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. 登録日 1998-06-10 公開日 1999-01-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 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 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ... 著者 Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J. 登録日 2002-03-01 公開日 2002-09-05 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 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 分子名称: 30S ribosomal protein S17e 著者 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) 登録日 2003-12-04 公開日 2004-12-14 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 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 分子名称: 1,2-ETHANEDIOL, CARBON MONOXIDE, CHLORIDE ION, ... 著者 Evans, G, Bricogne, G. 登録日 2002-03-14 公開日 2002-06-06 最終更新日 2017-06-28 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... 著者 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) 登録日 2010-08-06 公開日 2010-08-18 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 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 分子名称: GLYCEROL, Lysozyme C, camelid ANTIBODY HEAVY CHAIN 著者 De Genst, E, Silence, K, Ghahroudi, M.A, Decanniere, K, Loris, R, Kinne, J, Wyns, L, Muyldermans, S. 登録日 2003-11-17 公開日 2005-02-01 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 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 分子名称: ADENOSINE-5'-TRIPHOSPHATE, FUMARIC ACID, MANGANESE (II) ION, ... 著者 Yang, Z, Lanks, C.W, Tong, L. 登録日 2002-05-14 公開日 2003-05-22 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: LYSOZYME C 著者 Refaee, M, Akasaka, K, Williamson, M. 登録日 2002-04-12 公開日 2003-03-27 最終更新日 2011-07-13 実験手法 SOLUTION NMR 主引用文献 Pressure-Dependent Changes in the Solution Structure of Hen Egg-White Lysozyme J.Mol.Biol., 327, 2003

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