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3U2D
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BU of 3u2d by Molmil
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
3U2K
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BU of 3u2k by Molmil
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
1TC1
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BU of 1tc1 by Molmil
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
1TC2
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BU of 1tc2 by Molmil
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
3TTZ
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BU of 3ttz by Molmil
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
4LP0
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BU of 4lp0 by Molmil
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
1I0I
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BU of 1i0i by Molmil
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
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BU of 1i0l by Molmil
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
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BU of 1i13 by Molmil
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
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BU of 1i14 by Molmil
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
1P19
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BU of 1p19 by Molmil
Hypoxanthine Phosphoribosyltransferase from Trypanosoma cruzi, in complex 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 (2.3 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
1P18
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BU of 1p18 by Molmil
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
1P17
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BU of 1p17 by Molmil
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
1J7J
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BU of 1j7j by Molmil
Crystal Structure of the HPRT from Salmonella typhimurium
Descriptor: MAGNESIUM ION, hypoxanthine phosphoribosyltransferase
Authors:Lee, C.C, Focia, P.J, Spraggon, G, Eakin, A.E.
Deposit date:2001-05-16
Release date:2003-07-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the HPRT from Salmonella Typhimurium at 2.3 A Resolution
To be Published
3PN1
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BU of 3pn1 by Molmil
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
2AIM
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BU of 2aim by Molmil
CRUZAIN INHIBITED WITH BENZOYL-ARGININE-ALANINE-FLUOROMETHYLKETONE
Descriptor: BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE, CRUZAIN
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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BU of 4lpb by Molmil
Crystal structure of a topoisomerase ATPase inhibitor
Descriptor: 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, Topoisomerase IV subunit B
Authors:Boriack-Sjodin, A.
Deposit date:2013-07-15
Release date:2013-10-30
Last modified:2024-02-28
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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BU of 1aim by Molmil
CRUZAIN INHIBITED BY BENZOYL-TYROSINE-ALANINE-FLUOROMETHYLKETONE
Descriptor: BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE, CRUZAIN
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
1D6N
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BU of 1d6n by Molmil
TERNARY COMPLEX STRUCTURE OF HUMAN HGPRTASE, PRPP, MG2+, AND THE INHIBITOR HPP REVEALS THE INVOLVEMENT OF THE FLEXIBLE LOOP IN SUBSTRATE BINDING
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL, MAGNESIUM ION, ...
Authors:Balendiran, G.K.
Deposit date:1999-10-14
Release date:1999-12-30
Last modified:2024-02-07
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
1ME3
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BU of 1me3 by Molmil
High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (II)
Descriptor: Cruzipain, [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
Authors:Brinen, L.S, Huang, L, Ellman, J.A.
Deposit date:2002-08-07
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003
1ME4
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BU of 1me4 by Molmil
High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (I)
Descriptor: CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
Authors:Brinen, L.S, Huang, L, Ellman, J.A.
Deposit date:2002-08-07
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003
1EWL
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BU of 1ewl by Molmil
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
1EWP
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BU of 1ewp by Molmil
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:2024-03-13
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
1EWM
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BU of 1ewm by Molmil
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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BU of 1ewo by Molmil
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

 

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