Author results

3U2D
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S. AUREUS GYRB ATPASE DOMAIN IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:DNA gyrase subunit B, 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, 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:2017-08-09
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
3U2K
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S. AUREUS GYRB ATPASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:DNA gyrase subunit B, 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, 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:2017-08-09
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
1I0I
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ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-GLUTAMINE MUTANT
Descriptor:HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, ...
Authors:Canyuk, B., Focia, P.J., Eakin, A.E.
Deposit date:2001-01-29
Release date:2002-05-29
Last modified:2018-01-31
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
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ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-ASPARAGINE MUTANT
Descriptor:HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, ...
Authors:Canyuk, B., Focia, P.J., Eakin, A.E.
Deposit date:2001-01-29
Release date:2002-05-29
Last modified:2011-07-13
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
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ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-ALANINE MUTANT
Descriptor:HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, ...
Authors:Canyuk, B., Focia, P.J., Eakin, A.E.
Deposit date:2001-01-30
Release date:2002-05-29
Last modified:2011-07-13
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
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ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-GLUTAMIC ACID MUTANT
Descriptor:HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, ...
Authors:Canyuk, B., Focia, P.J., Eakin, A.E.
Deposit date:2001-01-30
Release date:2002-05-29
Last modified:2011-07-13
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
1J7J
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CRYSTAL STRUCTURE OF THE HPRT FROM SALMONELLA TYPHIMURIUM
Descriptor:hypoxanthine phosphoribosyltransferase, MAGNESIUM ION
Authors:Lee, C.C., Focia, P.J., Spraggon, G., Eakin, A.E.
Deposit date:2001-05-16
Release date:2003-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the HPRT from Salmonella Typhimurium at 2.3 A Resolution
To be Published
1P17
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HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, K68R MUTANT, COMPLEXED WITH THE PRODUCT IMP
Descriptor:hypoxanthine phosphoribosyltransferase, INOSINIC ACID
Authors:Medrano, F.J., Eakin, A.E., Craig III, S.P.
Deposit date:2003-04-11
Release date:2004-05-18
Last modified:2011-07-13
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
1P18
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HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, K68R MUTANT, TERNARY SUBSTRATES COMPLEX
Descriptor:hypoxanthine phosphoribosyltransferase, MAGNESIUM ION, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, ...
Authors:Canyuk, B., Eakin, A.E., Craig III, S.P.
Deposit date:2003-04-11
Release date:2004-05-18
Last modified:2011-07-13
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
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HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, IN COMPLEX WITH THE PRODUCT IMP
Descriptor:hypoxanthine phosphoribosyltransferase, INOSINIC ACID
Authors:Medrano, F.J., Eakin, A.E., Craig III, S.P.
Deposit date:2003-04-11
Release date:2004-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 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
1TC1
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A 1.4 ANGSTROM CRYSTAL STRUCTURE FOR THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE OF TRYPANOSOMA CRUZI
Descriptor:PROTEIN (HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE), FORMYCIN B, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
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:2018-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A 1.4 A crystal structure for the hypoxanthine phosphoribosyltransferase of Trypanosoma cruzi.
Biochemistry, 37, 1998
1TC2
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TERNARY SUBSTRATE COMPLEX OF THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI
Descriptor:PROTEIN (HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE), MAGNESIUM ION, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, ...
Authors:Focia, P.J., Craig III, S.P., Eakin, A.E.
Deposit date:1998-11-04
Release date:2000-03-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Approaching the transition state in the crystal structure of a phosphoribosyltransferase.
Biochemistry, 37, 1998
3TTZ
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CRYSTAL STRUCTURE OF A TOPOISOMERASE ATPASE INHIBITOR
Descriptor:DNA gyrase subunit B, 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, 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:2017-08-09
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21, 2011
4LP0
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CRYSTAL STRUCTURE OF A TOPOISOMERASE ATP INHIBITOR
Descriptor:Topoisomerase IV subunit B, 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid
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:2014-01-15
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
3PN1
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NOVEL BACTERIAL NAD+-DEPENDENT DNA LIGASE INHIBITORS WITH BROAD SPECTRUM POTENCY AND ANTIBACTERIAL EFFICACY IN VIVO
Descriptor:DNA ligase, 2-(butylsulfanyl)adenosine, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
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:2017-11-08
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
1D6N
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TERNARY COMPLEX STRUCTURE OF HUMAN HGPRTASE, PRPP, MG2+, AND THE INHIBITOR HPP REVEALS THE INVOLVEMENT OF THE FLEXIBLE LOOP IN SUBSTRATE BINDING
Descriptor:PROTEIN (HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE), MAGNESIUM ION, 3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL, ...
Authors:Balendiran, G.K.
Deposit date:1999-10-14
Release date:1999-12-30
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ternary complex structure of human HGPRTase, PRPP, Mg2+, and the inhibitor HPP reveals the involvement of the flexible loop in substrate binding.
Protein Sci., 8, 1999
2AIM
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CRUZAIN INHIBITED WITH BENZOYL-ARGININE-ALANINE-FLUOROMETHYLKETONE
Descriptor:CRUZAIN, BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE
Authors:Gillmor, S.A., Fletterick, R.J.
Deposit date:1997-04-21
Release date:1997-10-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural determinants of specificity in the cysteine protease cruzain.
Protein Sci., 6, 1997
4LPB
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CRYSTAL STRUCTURE OF A TOPOISOMERASE ATPASE INHIBITOR
Descriptor:Topoisomerase IV subunit B, 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea
Authors:Boriack-Sjodin, A.
Deposit date:2013-07-15
Release date:2013-10-30
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (1.75 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
1AIM
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CRUZAIN INHIBITED BY BENZOYL-TYROSINE-ALANINE-FLUOROMETHYLKETONE
Descriptor:CRUZAIN, BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE
Authors:Fletterick, R., Gillmor, S.
Deposit date:1997-04-21
Release date:1997-10-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural determinants of specificity in the cysteine protease cruzain.
Protein Sci., 6, 1997
1EWL
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CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99
Descriptor:CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Authors:Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cruzain bound to WRR-99
To be Published
1EWM
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THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-112
Descriptor:CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Authors:Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cruzain bound to WRR-112
To be Published
1EWO
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THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-204
Descriptor:CRUZAIN, N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
Authors:Brinen, L.S., Gillmor, S.A., Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cruzain bound to WRR-204
To be Published
1EWP
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CRUZAIN BOUND TO MOR-LEU-HPQ
Descriptor:CRUZAIN, N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
Authors:Gillmor, S.A.
Deposit date:2000-04-26
Release date:2000-05-17
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Chapter 3: X-ray Structures of Complexes of Cruzain with Designed Covalent Inhibitors
Enzyme-ligand Interactions, Inhibition and Specificity, 1998
1F29
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
Descriptor:CRUZAIN, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
Authors:Brinen, L.S., Hansell, E., Roush, W.R., McKerrow, J.H., Fletterick, R.J.
Deposit date:2000-05-23
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
1F2A
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II)
Descriptor:CRUZAIN, 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
Authors:Brinen, L.S., Hansell, E., Roush, W.R., McKerrow, J.H., Fletterick, R.J.
Deposit date:2000-05-23
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
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