3PN1
 
 | | Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase | | Authors: | Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S. | | Deposit date: | 2010-11-18 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
|
|
4LP0
 | | Crystal structure of a topoisomerase ATP inhibitor | | Descriptor: | 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, Topoisomerase IV subunit B | | Authors: | Basarab, G.S, Manchester, J.I, Bist, S, Boriack-Sjodin, P.A, Dangel, B, Illingsworth, R, Uria-Nickelsen, M, Sherer, B.A, Sriram, S, Eakin, A.E. | | Deposit date: | 2013-07-14 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
|
|
1TC2
 | | TERNARY SUBSTRATE COMPLEX OF THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ... | | Authors: | Focia, P.J, Craig III, S.P, Eakin, A.E. | | Deposit date: | 1998-11-04 | | Release date: | 2000-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Approaching the transition state in the crystal structure of a phosphoribosyltransferase.
Biochemistry, 37, 1998
|
|
1TC1
 | | A 1.4 ANGSTROM CRYSTAL STRUCTURE FOR THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE OF TRYPANOSOMA CRUZI | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FORMYCIN B, PROTEIN (HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE) | | Authors: | Focia, P.J, Craig III, S.P, Nieves-Alicea, R, Fletterick, R.J, Eakin, A.E. | | Deposit date: | 1998-09-30 | | Release date: | 1999-10-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | A 1.4 A crystal structure for the hypoxanthine phosphoribosyltransferase of Trypanosoma cruzi.
Biochemistry, 37, 1998
|
|
1I0I
 | | ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-GLUTAMINE MUTANT | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ... | | Authors: | Canyuk, B, Focia, P.J, Eakin, A.E. | | Deposit date: | 2001-01-29 | | Release date: | 2002-05-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Biochemistry, 40, 2001
|
|
1I0L
 | | ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-ASPARAGINE MUTANT | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ... | | Authors: | Canyuk, B, Focia, P.J, Eakin, A.E. | | Deposit date: | 2001-01-29 | | Release date: | 2002-05-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Biochemistry, 40, 2001
|
|
1I13
 | | ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-ALANINE MUTANT | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, FORMIC ACID, ... | | Authors: | Canyuk, B, Focia, P.J, Eakin, A.E. | | Deposit date: | 2001-01-30 | | Release date: | 2002-05-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Biochemistry, 40, 2001
|
|
1I14
 | | ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-GLUTAMIC ACID MUTANT | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ... | | Authors: | Canyuk, B, Focia, P.J, Eakin, A.E. | | Deposit date: | 2001-01-30 | | Release date: | 2002-05-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Biochemistry, 40, 2001
|
|
1P18
 | | Hypoxanthine Phosphoribosyltransferase from Trypanosoma cruzi, K68R mutant, ternary substrates complex | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ... | | Authors: | Canyuk, B, Eakin, A.E, Craig III, S.P. | | Deposit date: | 2003-04-11 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interactions at the dimer interface influence the relative efficiencies for purine nucleotide synthesis and pyrophosphorolysis in a phosphoribosyltransferase
J.Mol.Biol., 335, 2004
|
|
1P19
 | |
3TTZ
 | | Crystal structure of a topoisomerase ATPase inhibitor | | Descriptor: | 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, DNA gyrase subunit B, MAGNESIUM ION | | Authors: | Boriack-Sjodin, P.A, Read, J, Eakin, A.E, Sherer, B.A. | | Deposit date: | 2011-09-15 | | Release date: | 2011-11-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3U2K
 | | S. aureus GyrB ATPase domain in complex with a small molecule inhibitor | | Descriptor: | 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | | Authors: | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | | Deposit date: | 2011-10-03 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
|
|
1P17
 | | Hypoxanthine Phosphoribosyltransferase from Trypanosoma cruzi, K68R mutant, complexed with the product IMP | | Descriptor: | INOSINIC ACID, hypoxanthine phosphoribosyltransferase | | Authors: | Medrano, F.J, Eakin, A.E, Craig III, S.P. | | Deposit date: | 2003-04-11 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interactions at the dimer interface influence the relative efficiencies for purine nucleotide synthesis and pyrophosphorolysis in a phosphoribosyltransferase.
J.Mol.Biol., 335, 2004
|
|
3U2D
 | | S. aureus GyrB ATPase domain in complex with small molecule inhibitor | | Descriptor: | 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | | Authors: | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | | Deposit date: | 2011-10-03 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
|
|
1J7J
 | |
5AE9
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | | Descriptor: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
|
|
5AE8
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | | Descriptor: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
|
|
