7UMP
| CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | 分子名称: | 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ... | 著者 | Davie, D.R, Abendroth, J, Boyd, J. | 登録日 | 2022-04-07 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J.Pharmacol.Exp.Ther., 383, 2022
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4WXR
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4WXP
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5W8L
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | 著者 | Davies, D.R, Dranow, D.M. | 登録日 | 2017-06-21 | 公開日 | 2018-01-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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1NOP
| Crystal structure of human tyrosyl-DNA phosphodiesterase (Tdp1) in complex with vanadate, DNA and a human topoisomerase I-derived peptide | 分子名称: | 5'-D(*AP*GP*AP*GP*TP*T)-3', VANADATE ION, topoisomerase I-derived peptide, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | 登録日 | 2003-01-16 | 公開日 | 2003-03-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of a transition state mimic for Tdp1 assembled from vanadate, DNA, and a topoisomerase I-derived peptide Chem.Biol., 10, 2003
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1JY1
| CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1) | 分子名称: | TYROSYL-DNA PHOSPHODIESTERASE | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | 登録日 | 2001-09-10 | 公開日 | 2002-02-20 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | The crystal structure of human tyrosyl-DNA phosphodiesterase, Tdp1. Structure, 10, 2002
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1MU7
| Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Tungstate Complex | 分子名称: | GLYCEROL, TUNGSTATE(VI)ION, Tyrosyl-DNA Phosphodiesterase | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | 登録日 | 2002-09-23 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures J.Mol.Biol., 324, 2003
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1MU9
| Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Vanadate Complex | 分子名称: | GLYCEROL, Tyrosyl-DNA Phosphodiesterase, VANADATE ION | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | 登録日 | 2002-09-23 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures J.Mol.Biol., 324, 2002
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2B9S
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4ZBN
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4HQX
| CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4) | 分子名称: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | 著者 | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | 登録日 | 2012-10-26 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc.Natl.Acad.Sci.USA, 109, 2012
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1RFI
| Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide KLNYK, and tetranucleotide AGTC | 分子名称: | 5'-D(*AP*GP*TP*C)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-10 | 公開日 | 2004-03-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RFF
| Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide KLNYYDPR, and tetranucleotide AGTT. | 分子名称: | 5'-D(*AP*GP*TP*T)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-08 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RG1
| Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTT | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*T)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-10 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RGT
| Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC | 分子名称: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-12 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RH0
| Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-13 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RG2
| Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTA | 分子名称: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*A)-3', ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-11 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RGU
| The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTG | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*G)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-13 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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3OCT
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3OCS
| Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746 | 分子名称: | 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, SULFATE ION, ... | 著者 | Davies, D.R, Gallion, S.L, Staker, B.L. | 登録日 | 2010-08-10 | 公開日 | 2010-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis To be Published
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4HQU
| Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5) | 分子名称: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | 著者 | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | 登録日 | 2012-10-26 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc.Natl.Acad.Sci.USA, 109, 2012
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6Q13
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | 著者 | Davies, D.R, Dranow, D.M. | 登録日 | 2019-08-02 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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1B7E
| TRANSPOSASE INHIBITOR | 分子名称: | 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5) | 著者 | Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I. | 登録日 | 1999-01-22 | 公開日 | 1999-04-21 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The three-dimensional structure of a Tn5 transposase-related protein determined to 2.9A resolution. J.Biol.Chem., 274, 1999
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3F2D
| DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mn and Zn | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | 著者 | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | 登録日 | 2008-10-29 | 公開日 | 2009-01-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Structure of PolC reveals unique DNA binding and fidelity determinants. Proc.Natl.Acad.Sci.USA, 105, 2008
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3F2B
| DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mg and Zn | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | 著者 | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | 登録日 | 2008-10-29 | 公開日 | 2009-01-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure of PolC reveals unique DNA binding and fidelity determinants. Proc.Natl.Acad.Sci.USA, 105, 2008
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