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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
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
3NLV
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3S,4S)-4-(2-(2,2-DIFLUORO-2-(3-FLUOROPHENYL)ETHYLAMINO)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:2010-06-21
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
3NLW
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3S,4S)-4-(2-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYLAMINO)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:2010-06-21
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
3NLX
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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-FLUOROPHENYL)ETHYLAMINO)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:2010-06-21
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
3NLY
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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-(4-FLUOROPHENYL)ETHYLAMINO)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:2010-06-21
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
3NLZ
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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-METHYLPYRIDIN-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 (1.92 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
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
3NMU
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CRYSTAL STRUCTURE OF SUBSTRATE-BOUND HALFMER BOX C/D RNP
Descriptor:NOP5/NOP56 related protein, 50S ribosomal protein L7Ae, RNA (34-MER), ...
Authors:Li, H., Xue, S., Wang, R.
Deposit date:2010-06-22
Release date:2011-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
3NNY
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6-(((3R,4R)-4-(2-(3-FLUOROPHENETHYLAMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2010-06-24
Release date:2010-10-06
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Bioorg.Med.Chem.Lett., 20, 2010
3NNZ
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6-(((3S,4S)-4-(2-(3-FLUOROPHENETHYLAMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2010-06-24
Release date:2010-10-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Bioorg.Med.Chem.Lett., 20, 2010
3NVI
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STRUCTURE OF N-TERMINAL TRUNCATED NOP56/58 BOUND WITH L7AE AND BOX C/D RNA
Descriptor:NOP5/NOP56 related protein, 50S ribosomal protein L7Ae, RNA (5'-R(*CP*UP*CP*UP*GP*AP*CP*CP*GP*AP*AP*AP*GP*GP*CP*GP*UP*GP*AP*UP*GP*AP*GP*C)-3')
Authors:Li, H., Xue, S., Wang, R.
Deposit date:2010-07-08
Release date:2011-07-20
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.709 Å)
Cite:Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
3Q8J
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CRYSTAL STRUCTURE OF ASTEROPSIN A FROM MARINE SPONGE ASTEROPUS SP.
Descriptor:Asteropsin A, METHANOL
Authors:Bowling, J.J., Fronczek, F.R., Hamann, M.T., Li, H., Jung, J.H.
Deposit date:2011-01-06
Release date:2012-04-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:An Uncommon Crystal Structure of a Marine Knottin Peptide from Asteropus sp.
To be published
3Q99
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE IN THE FERRIC STATE IN COMPLEX WITH N~5~-[(3-(ETHYLSULFANYL)PROPANIMIDOYL]-L-ORNITHINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Doukov, T., Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors.
J.Am.Chem.Soc., 133, 2011
3Q9A
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE IN THE FERRIC STATE IN COMPLEX WITH N-5-[2-(ETHYLSULFANYL)ETHANIMIDOYL]-L-ORNITHINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Doukov, T., Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors.
J.Am.Chem.Soc., 133, 2011
3QLC
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COMPLEX STRUCTURE OF ATRX ADD DOMAIN BOUND TO UNMODIFIED H3 1-15 PEPTIDE
Descriptor:Transcriptional regulator ATRX, peptide of Histone H3.3, ZINC ION
Authors:Li, H., Patel, D.J.
Deposit date:2011-02-02
Release date:2011-06-15
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome
Nat.Struct.Mol.Biol., 18, 2011
3QLN
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CRYSTAL STRUCTURE OF ATRX ADD DOMAIN IN FREE STATE
Descriptor:Transcriptional regulator ATRX, ZINC ION
Authors:Li, H., Patel, D.J.
Deposit date:2011-02-03
Release date:2011-06-15
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome
Nat.Struct.Mol.Biol., 18, 2011
3QZS
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CRYSTAL STRUCTURE OF BPTF BROMO IN COMPLEX WITH HISTONE H4K16AC - FORM I
Descriptor:Nucleosome-remodeling factor subunit BPTF, Histone H4
Authors:Li, H., Ruthenburg, A.J., Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3QZT
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CRYSTAL STRUCTURE OF BPTF BROMO IN COMPLEX WITH HISTONE H4K16AC - FORM II
Descriptor:Nucleosome-remodeling factor subunit BPTF, Histone H4, GLYCEROL
Authors:Li, H., Ruthenburg, A.J., Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3QZV
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CRYSTAL STRUCTURE OF BPTF PHD-LINKER-BROMO IN COMPLEX WITH HISTONE H4K12AC PEPTIDE
Descriptor:Nucleosome-remodeling factor subunit BPTF, Histone H4, ZINC ION
Authors:Li, H., Ruthenburg, A.J., Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
4C39
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN 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, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-08-22
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4C3A
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STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN 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, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-08-22
Release date:2014-04-02
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4CAM
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 7-((3-FLUOROPHENETHYLAMINO)METHYL)QUINOLIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-10-08
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57, 2014
4CAN
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 7-(2-(3-FLUOROBENZYLAMINO)ETHYL)QUINOLIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-10-08
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57, 2014
4CAO
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 7-(2-(3-(3-FLUOROPHENYL(PROPYLAMINO)ETHYL))QUINOLIN-2- AMINE
Descriptor:NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2013-10-08
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57, 2014