Author results

6C3L
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CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN WITH COMPOUND 15F
Descriptor:B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Authors:Linhares, B., Cheng, H., Cierpicki, T., Xue, F.
Deposit date:2018-01-10
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.460922 Å)
Cite:Crystal structure of BCL6 BTB domain with compound 15f
To Be Published
4D3T
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4UGK
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(2-(5-(2-(DIMETHYLAMINO)ETHYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2- AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4D3J
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-(2,2'-(5-AMINO-1,3-PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4- METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
6CQ1
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BCL6 BTB DOMAIN IN COMPLEX WITH 15A
Descriptor:B-cell lymphoma 6 protein, 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide
Authors:Linhares, B.M., Cheng, H., Xue, F., Cierpicki, T.
Deposit date:2018-03-14
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.69921 Å)
Cite:Structure of BCL6 BTB in complex with 15a
To Be Published
3N5W
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6,6'-(2,2'-(PYRIDINE-3,5-DIYL)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:Nitric oxide synthase, PROTOPORPHYRIN IX CONTAINING FE, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4D3M
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(2-(4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL)ETHYL)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4UG7
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3,5-BIS(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
3N66
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE S602H MUTANT HEME DOMAIN IN COMPLEX WITH 6,6'-(2,2'-(5-AMINO-1,3-PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:Nitric oxide synthase, PROTOPORPHYRIN IX CONTAINING FE, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4UGJ
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO) ETHYL)AMINO)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
3N5X
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-(2-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)ETHYL)-6-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, PROTOPORPHYRIN IX CONTAINING FE, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
3N65
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE S602H MUTANT HEME DOMAIN IN COMPLEX WITH 6,6'-(2,2'-(PYRIDINE-3,5-DIYL)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:Nitric oxide synthase, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4UGP
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N',N'-(((2R)-3-AMINOPROPANE-1,2-DIYL)BIS(OXYMETHANEDIYLBENZENE-3,1- DIYL))DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGC
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-(((2S)-3-AMINOPROPANE-1,2-DIYL)BIS(OXYMETHANEDIYL))BIS(4- METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGI
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N1-(6-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-2-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGU
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N'-(4-(((2S,4R)-4-(3-((C-THIOPHEN-2-YLCARBONIMIDOYL)AMINO)PHENOXY) PYRROLIDIN-2-YL)METHOXY)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGY
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
3NM0
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-(2,2-DIFLUORO-2-PHENYLETHYLAMINO)ETHOXY) PYRROLIDIN-3-YL)METHYL)-4-METHYL-3,4,5,6-TETRAHYDROPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
4UG6
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-(PYRIDINE-3,5-DIYLDIETHANE-2,1-DIYL)BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGF
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)METHYL) PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGL
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1- CYCLOPROPYL-N2-METHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
3RQJ
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STRUCTURE OF THE NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-((1S,2R)-2-(3-FLUOROPHENYL)CYCLOPROPYLAMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2011-04-28
Release date:2012-05-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
4UG9
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-((4-(3-AMINOPROPYL)BENZENE-1,3-DIYL)DIETHANE-2,1-DIYL)BIS(4- METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGQ
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N,N''-(((2S)-3-AMINOPROPANE-1,2-DIYL)BIS(OXYMETHANEDIYLBENZENE-3,1- DIYL))DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGX
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N-(3-((ETHYL(2-(3-FLUOROPHENYL)ETHYL)AMINO)METHYL)PHENYL)THIOPHENE-2- CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015