PDB: 16941 件ウェブページステータス検索Chemie searchBIRD

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5WFR	Ligand-bound Ras:SOS:Ras complex 分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. 登録日 2017-07-12 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
5US4	Crystal structure of human KRAS G12D mutant in complex with GDP 分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. 登録日 2017-02-13 公開日 2017-03-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
5UQW	Crystal structure of human KRAS G12V mutant in complex with GDP 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. 登録日 2017-02-08 公開日 2017-03-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
5USJ	Crystal Structure of human KRAS G12D mutant in complex with GDPNP 分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. 登録日 2017-02-13 公開日 2017-03-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
6CPW	Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology 分子名称: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Hruza, A, Hruza, A. 登録日 2018-03-14 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
5L7Y	17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. 分子名称: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. 登録日 2016-06-04 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.912 Å) 主引用文献 First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
5L7W	17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. 分子名称: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... 著者 Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. 登録日 2016-06-04 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
5L7T	17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. 分子名称: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. 登録日 2016-06-03 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.983 Å) 主引用文献 First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
1Q1V	Structure of the Oncoprotein DEK: a putative DNA-binding Domain Related to the Winged Helix Motif 分子名称: DEK protein 著者 Devany, M, Kotharu, N.P, Matsuo, H. 登録日 2003-07-22 公開日 2004-08-10 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution NMR structure of the C-terminal domain of the human protein DEK PROTEIN SCI., 13, 2004
3C4C	B-Raf Kinase in Complex with PLX4720 分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide 著者 Zhang, K.Y.J, Wang, W. 登録日 2008-01-29 公開日 2008-02-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc.Natl.Acad.Sci.Usa, 105, 2008
2W5B	Human Nek2 kinase ATPgammaS-bound 分子名称: CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... 著者 Bayliss, R. 登録日 2008-12-08 公開日 2008-12-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase. J.Mol.Biol., 386, 2009
3JZO	Human MDMX liganded with a 12mer peptide (pDI) 分子名称: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer) 著者 Schonbrunn, E, Phan, J. 登録日 2009-09-23 公開日 2009-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
3MHJ	Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one 分子名称: 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ... 著者 Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) 登録日 2010-04-08 公開日 2010-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
2Z3Y	Crystal structure of Lysine-specific demethylase1 分子名称: Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE 著者 Mimasu, S, Sengoku, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-06-08 公開日 2008-01-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A Biochem.Biophys.Res.Commun., 366, 2008
3JZQ	Human MDMX liganded with a 12mer peptide inhibitor (pDIQ) 分子名称: Protein Mdm4, SULFATE ION, pDIQ peptide (12mer) 著者 Schonbrunn, E, Phan, J. 登録日 2009-09-24 公開日 2009-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
3JZP	Human MDMX liganded with a 12mer peptide inhibitor (pDI6W) 分子名称: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer) 著者 Schonbrunn, E, Phan, J. 登録日 2009-09-24 公開日 2009-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
3MHK	Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol 分子名称: 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, Tankyrase-2, ... 著者 Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) 登録日 2010-04-08 公開日 2010-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
2YEX	Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors 分子名称: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... 著者 Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. 登録日 2011-03-31 公開日 2012-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
2YER	Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors 分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... 著者 Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. 登録日 2011-03-30 公開日 2012-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
3GUR	Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) 分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ... 著者 Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. 登録日 2009-03-30 公開日 2009-10-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases Cancer Res., 69, 2009
1ZQG	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF A SODIUM-FREE ARTIFICIAL MOTHER LIQUOR AT PH 6.5 分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
1ZQS	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF TLCL (0.5 MILLIMOLAR) 分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
1ZQP	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF KCL (75 MILLIMOLAR) AND NACL (75 MILLIMOLAR) 分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), POTASSIUM ION, ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
1ZQO	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR) AND NACL (15 MILLIMOLAR) 分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
1ZQR	DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF NICL2 分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), NICKEL (II) ION, ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996

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