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3SVP
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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-(3-CHLORO-5-FLUOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-07-12
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
3SVQ
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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-(2,3-DIFLUOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-07-12
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
3TYL
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3S,4S)-4-(2-((2-FLUOROBENZYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3TYM
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3S,4S)-4-(2-((2-METHOXYBENZYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3TYN
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 2-(((2-(((3S,4S)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL)PYRROLIDIN-3-YL)OXY)ETHYL)AMINO)METHYL)PHENOL
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3TYO
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3S,4S)-4-(2-((FURAN-2-YLMETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
4IMS
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6,6'-((5-(3-AMINOPROPYL)-1,3-PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-01-03
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMT
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-((4-(3-AMINOPROPYL)-1,3-PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-01-03
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMU
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-((5-(AMINOMETHYL)-1,3-PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-01-03
Release date:2013-04-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMW
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3,5-BIS(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)BENZONITRILE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-01-03
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMX
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 3,5-BIS(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)BENZONITRILE
Descriptor:subunit A, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-01-03
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4KCH
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N,N'-([1,1'-BIPHENYL]-3,3'-DIYL)BIS(THIOPHENE-2-CARBOXIMIDAMIDE)
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCI
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N,N'-(ETHANE-1,2-DIYLBIS(3,1-PHENYLENE))BIS(THIOPHENE-2-CARBOXIMIDAMIDE)
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCJ
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N,N'-((ETHANE-1,2-DIYLBIS(OXY))BIS(3,1-PHENYLENE))BIS(THIOPHENE-2-CARBOXIMIDAMIDE)
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCK
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(3-(2-((3-(THIOPHENE-2-CARBOXIMIDAMIDO)BENZYL)AMINO)ETHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCL
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(4-(2-((3-(THIOPHENE-2-CARBOXIMIDAMIDO)BENZYL)AMINO)ETHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCM
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(4-(2-(ETHYL(3-(THIOPHENE-2-CARBOXIMIDAMIDO)BENZYL)AMINO)ETHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCN
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(3-(((3-FLUOROPHENETHYL)AMINO)METHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCO
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(3-((ETHYL(3-FLUOROPHENETHYL)AMINO)METHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCQ
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(4-(2-(ETHYL(3-(THIOPHENE-2-CARBOXIMIDAMIDO)BENZYL)AMINO)ETHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
4KCR
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N-(3-(((3-FLUOROPHENETHYL)AMINO)METHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
5FVO
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(2-(5-(3-METHOXYPROPYLAMINO)PYRIDIN-3-YL)ETHYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2016-02-10
Release date:2016-04-20
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
5FVP
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-METHYL-6-[2-(5-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYL]PYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2016-02-10
Release date:2016-04-20
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
5FVQ
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-METHYL-6-(2-(5-(4-METHYLPIPERAZIN-1-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2016-02-10
Release date:2016-04-20
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
5FVR
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-METHYL-6-(2-(5-(1-METHYLPIPERIDIN-4-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2016-02-10
Release date:2016-04-20
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016