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3RQP
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STRUCTURE OF THE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-FLUOROPHENYL)PROPAN-2-YL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, endothelial, 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 (2.35 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
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
4D3I
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STRUCTURE OF BACILLUS SUBTILIS 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 OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ...
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 (2.09 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 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
4D3K
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE 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 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:2015-02-04
Method:X-RAY DIFFRACTION (2.017 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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
4D3N
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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-(PYRIDIN-2-YL)ETHYL)AMINO)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, ...
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 (2.13 Å)
Cite:Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4D3O
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(3-(2-(1H-PYRROLO(2,3-B)PYRIDIN-6-YL)ETHYL)-5-(AMINOMETHYL) PHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
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
4D3U
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE H128S 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 (1.981 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3V
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE I218V 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 (1.88 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4UG5
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(2-(5-(2-(2-AMINO-6-METHYLPYRIDIN-4-YL)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 (2.352 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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
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
4UG8
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(5-((3R,4R)-4-((6-AZANYL-4-METHYL-PYRIDIN-2-YL)METHYL)PYRROLIDIN-3- YL)OXYPENTYL)-4-METHYL-PYRIDIN-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 (1.888 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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
4UGA
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-((3-(((2-(3-FLUOROPHENYL)ETHYL)AMINO)METHYL)PHENOXY)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 (1.9 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGB
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(((5-(((2-(3-FLUOROPHENYL)ETHYL)AMINO)METHYL)PYRIDIN-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 (1.912 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
4UGD
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-((((2S)-1-AMINO-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)BUTAN-2-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 (2.03 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015