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BU of 4gee by Molmil

Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:	Bensen, D.C, Chen, Z, Tari, L.W.
Deposit date:	2012-08-01
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4ggl by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
Descriptor:	7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL
Authors:	Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:	2012-08-06
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.69 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hz0 by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION
Authors:	Bensen, D.C, Trzoss, M, Tari, L.W.
Deposit date:	2012-11-14
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hyp by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
Authors:	Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:	2012-11-13
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.6 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hz5 by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
Descriptor:	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit
Authors:	Bensen, D.C, Creighton, C.J, Tari, L.W.
Deposit date:	2012-11-14
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.7 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hy1 by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one, Topoisomerase IV, subunit B
Authors:	Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:	2012-11-12
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hxz by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B
Authors:	Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:	2012-11-12
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.7 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hym by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B
Authors:	Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
Deposit date:	2012-11-13
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hxw by Molmil

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor:	(3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
Authors:	Bensen, D.C, Trzoss, M, Tari, L.W.
Deposit date:	2012-11-12
Release date:	2013-02-13
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.69 Å)
Cite:	Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013

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BU of 4hws by Molmil

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor:	N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:	Hilgers, M.T.
Deposit date:	2012-11-08
Release date:	2013-09-18
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013

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BU of 4hwp by Molmil

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor:	N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:	Hilgers, M.T.
Deposit date:	2012-11-08
Release date:	2013-09-18
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.807 Å)
Cite:	Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013

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BU of 4hwt by Molmil

Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor:	N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, cytoplasmic, ...
Authors:	Hilgers, M.T.
Deposit date:	2012-11-08
Release date:	2013-09-18
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013

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BU of 4hwr by Molmil

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor:	N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:	Hilgers, M.T.
Deposit date:	2012-11-08
Release date:	2013-09-18
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013

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BU of 4hwo by Molmil

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor:	N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:	Hilgers, M.T.
Deposit date:	2012-11-08
Release date:	2013-09-18
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.907 Å)
Cite:	Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013

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BU of 4k4o by Molmil

The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor
Descriptor:	6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
Authors:	Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
Deposit date:	2013-04-12
Release date:	2014-01-15
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (1.3 Å)
Cite:	A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published

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BU of 4ksg by Molmil

Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
Descriptor:	4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
Authors:	Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
Deposit date:	2013-05-17
Release date:	2014-01-15
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published

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BU of 4ktn by Molmil

Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor ((3S)-1-[2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-9H-PYRIMIDO[4,5-B]INDOL-4-YL]PYRROLIDIN-3-AMINE)
Descriptor:	(3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B
Authors:	Bensen, D.C, Akers-rodriguez, S, Tari, L.W.
Deposit date:	2013-05-20
Release date:	2014-01-15
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.69 Å)
Cite:	A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published

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BU of 4ksh by Molmil

Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL)
Descriptor:	7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol, DNA gyrase subunit B, GLYCEROL
Authors:	Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
Deposit date:	2013-05-17
Release date:	2014-01-15
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published

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