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 | | Descriptor: | 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, ... | | Authors: | Davies, D.R, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 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 | | Descriptor: | 5'-D(*AP*GP*AP*GP*TP*T)-3', VANADATE ION, topoisomerase I-derived peptide, ... | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 2003-01-16 | | Release date: | 2003-03-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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4ZBN
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1MU7
 | | Crystal Structure of a Human Tyrosyl-DNA Phosphodiesterase (Tdp1)-Tungstate Complex | | Descriptor: | GLYCEROL, TUNGSTATE(VI)ION, Tyrosyl-DNA Phosphodiesterase | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 2002-09-23 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | GLYCEROL, Tyrosyl-DNA Phosphodiesterase, VANADATE ION | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 2002-09-23 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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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4HQX
 | | CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4) | | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | | Deposit date: | 2012-10-26 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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4NI9
 | | Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2 | | Descriptor: | Interleukin-6, SODIUM ION, SOMAmer SL1025 | | Authors: | Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C. | | Deposit date: | 2013-11-05 | | Release date: | 2014-01-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
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3OCS
 | | Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746 | | Descriptor: | 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, ... | | Authors: | Davies, D.R, Gallion, S.L, Staker, B.L. | | Deposit date: | 2010-08-10 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
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4NI7
 | | Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025) | | Descriptor: | Interleukin-6, SODIUM ION, SOMAmer SL1025 | | Authors: | Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C. | | Deposit date: | 2013-11-05 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
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3OCT
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4HQU
 | | Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5) | | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | | Deposit date: | 2012-10-26 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Davies, D.R, Dranow, D.M. | | Deposit date: | 2019-08-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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1JY1
 | | CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1) | | Descriptor: | TYROSYL-DNA PHOSPHODIESTERASE | | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 2001-09-10 | | Release date: | 2002-02-20 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The crystal structure of human tyrosyl-DNA phosphodiesterase, Tdp1.
Structure, 10, 2002
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1B7E
 | | TRANSPOSASE INHIBITOR | | Descriptor: | 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5) | | Authors: | Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I. | | Deposit date: | 1999-01-22 | | Release date: | 1999-04-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 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 | | Descriptor: | 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', ... | | Authors: | 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. | | Deposit date: | 2008-10-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | 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 | | Descriptor: | 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', ... | | Authors: | 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. | | Deposit date: | 2008-10-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
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3F2C
 | | DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP and Mn | | Descriptor: | 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', ... | | Authors: | 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. | | Deposit date: | 2008-10-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
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3FTZ
 | | Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline | | Descriptor: | 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ... | | Authors: | Davies, D.R. | | Deposit date: | 2009-01-13 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
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3FUL
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3FTY
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3FUF
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3FU3
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3FUK
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