PDB: 66478 件ウェブページステータス検索Chemie searchBIRD

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4F0M	UNACTIVATED RUBISCO with MAGNESIUM AND A WATER MOLECULE BOUND 分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... 著者 Stec, B. 登録日 2012-05-04 公開日 2012-11-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural mechanism of RuBisCO activation by carbamylation of the active site lysine. Proc.Natl.Acad.Sci.USA, 109, 2012
6NKS	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with beta-gamma CHF analog of dGTP 分子名称: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2019-01-07 公開日 2020-01-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.349 Å) 主引用文献 Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6NKW	Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma-methylene dGTP 分子名称: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2019-01-07 公開日 2020-01-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6NL0	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CF2 analogue of dGTP 分子名称: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2019-01-07 公開日 2020-01-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
4DHO	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
4DHU	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2013-09-04 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
4DT8	Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa in Complex with Adenosine 分子名称: ADENOSINE, APH(2'')-Id, CHLORIDE ION 著者 Shi, K, Berghuis, A.M. 登録日 2012-02-20 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural Basis for Dual Nucleotide Selectivity of Aminoglycoside 2''-Phosphotransferase IVa Provides Insight on Determinants of Nucleotide Specificity of Aminoglycoside Kinases. J.Biol.Chem., 287, 2012
4I41	Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone 分子名称: 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1 著者 Zhang, W, Wan, X, Xie, Y, Huang, N. 登録日 2012-11-27 公開日 2013-12-11 最終更新日 2019-07-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. J. Med. Chem., 56, 2013
4DF3	Crystal Structure of Aeropyrum pernix fibrillarin in complex with natively bound S-adenosyl-L-methionine at 1.7A 分子名称: Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, S-ADENOSYLMETHIONINE 著者 de Silva, U. 登録日 2012-01-22 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Structure of Aeropyrum pernix fibrillarin in complex with natively bound S-adenosyl-L-methionine at 1.7 A resolution. Acta Crystallogr.,Sect.F, 68, 2012
4DHQ	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2013-09-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
4I0G	Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors 分子名称: 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION 著者 Yao, N, Brecht, E. 登録日 2012-11-16 公開日 2013-03-06 最終更新日 2013-04-24 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
4DTA	Crystal Structure of F95M Aminoglycoside-2''-Phosphotransferase Type IVa in Complex with Adenosine 分子名称: ADENOSINE, APH(2'')-Id 著者 Shi, K, Berghuis, A.M. 登録日 2012-02-20 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural Basis for Dual Nucleotide Selectivity of Aminoglycoside 2''-Phosphotransferase IVa Provides Insight on Determinants of Nucleotide Specificity of Aminoglycoside Kinases. J.Biol.Chem., 287, 2012
4HZT	Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates 分子名称: 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION 著者 Yao, N, Brecht, E. 登録日 2012-11-15 公開日 2013-03-06 最終更新日 2013-04-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
4BXO	Architecture and DNA recognition elements of the Fanconi anemia FANCM- FAAP24 complex 分子名称: 5'-D(*GP*AP*TP*GP*AP*TP*GP*CP*TP*GP*CP)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*AP*TP*CP)-3', CALCIUM ION, ... 著者 Coulthard, R, Deans, A, Swuec, P, Bowles, M, Purkiss, A, Costa, A, West, S, McDonald, N. 登録日 2013-07-15 公開日 2013-08-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Architecture and DNA Recognition Elements of the Fanconi Anemia Fancm-Faap24 Complex. Structure, 21, 2013
4I1C	Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors 分子名称: BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION 著者 Lougheed, J.C, Brecht, E, Yao, N.H. 登録日 2012-11-20 公開日 2013-03-06 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
6N2R	Binary complex crystal structure of DNA polymerase Beta with 5-carboxy-dC (5-caC) at the templating position 分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(1CC)P*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'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2018-11-14 公開日 2019-04-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Molecular basis for the faithful replication of 5-methylcytosine and its oxidized forms by DNA polymerase beta. J.Biol.Chem., 294, 2019
4J1L	Mutant Endotoxin TeNT 分子名称: Tetanus toxin, ZINC ION 著者 Guo, J, Pan, X, Zhao, Y, Chen, S. 登録日 2013-02-01 公開日 2014-02-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Engineering Clostridia Neurotoxins with elevated catalytic activity Toxicon, 74, 2013
4J48	Crystal structure of XIAP-BIR2 domain with AMRV bound 分子名称: E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ... 著者 Gosu, R. 登録日 2013-02-06 公開日 2013-09-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
3TR0	Structure of guanylate kinase (gmk) from Coxiella burnetii 分子名称: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, SULFATE ION 著者 Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. 登録日 2011-09-09 公開日 2011-09-21 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.851 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
4IUW	Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) 分子名称: CARBONATE ION, CITRIC ACID, Neutral endopeptidase, ... 著者 Anderson, B.F, Knapp, K.M, Holland, R, Norris, G.E, Christensson, C, Bratt, H, Collins, L.J, Coolbear, T, Lubbers, M.W, Toole, P.W.O, Reid, J.R, Jameson, G.B. 登録日 2013-01-21 公開日 2013-03-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) TO BE PUBLISHED
6NXB	ECAII IN COMPLEX WITH CITRATE AT PH 7 分子名称: CITRIC ACID, GLYCEROL, L-asparaginase 2 著者 Lubkowski, J, Wlodawer, A. 登録日 2019-02-08 公開日 2019-08-07 最終更新日 2019-11-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
3TQU	Structure of a HAM1 protein from Coxiella burnetii 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase 著者 Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. 登録日 2011-09-09 公開日 2011-09-21 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
6NX6	ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5 分子名称: ACETIC ACID, CITRIC ACID, L-asparaginase 2 著者 Lubkowski, J, Wlodawer, A. 登録日 2019-02-08 公開日 2019-08-07 最終更新日 2020-08-19 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
3U7A	AL-09 Y32F Y96F 分子名称: Amyloidogenic immunoglobulin light chain protein AL-09 Y32F Y96F, variable domain 著者 DiCostanzo, A.C, Thompson, J.R, Ramirez-Alvarado, M. 登録日 2011-10-13 公開日 2012-07-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Tyrosine Residues mediate crucial interactions in amyloid formation for immunoglobulin light chains To be Published
4J4O	Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 in complex with D44 分子名称: 70 kDa peptidylprolyl isomerase, putative, GLYCEROL, ... 著者 Sreekanth, R, Harikishore, A, Yoon, H.S. 登録日 2013-02-07 公開日 2013-09-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent. Sci Rep, 3, 2013

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