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2LC2
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BU of 2lc2 by Molmil
Solution structure of the RXLR effector P. capsici AVR3a4
Descriptor: AVR3a4
Authors:Li, H, Koshiba, S, Yaeno, T, Sato, M, Watanabe, S, Harada, T, Shirasu, K, Kigawa, T.
Deposit date:2011-04-12
Release date:2011-08-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A PIP-binding interface in the oomycete RXLR effector AVR3A is required for its accumulation in host cells to modulate plant immunity
To be Published
4LUW
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BU of 4luw by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
3Q99
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BU of 3q99 by Molmil
Structure of neuronal nitric oxide synthase in the ferric state in complex with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Doukov, T, Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2023-09-13
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
3QLN
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BU of 3qln by Molmil
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:2024-03-20
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
4MPZ
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BU of 4mpz by Molmil
Crystal structure of TCP10c domain of Drosophila melanogaster Sas-4
Descriptor: IMIDAZOLE, Sas-4
Authors:Li, H, Zheng, X.
Deposit date:2013-09-14
Release date:2014-01-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:The conserved TCP domain of Sas-4/CPAP is essential for Peri-centriolar material tethering during centrosome biogenesis
Proc.Natl.Acad.Sci.USA, 2014
5FB1
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BU of 5fb1 by Molmil
Crystal Structure of a PHD finger bound to histone H3 K9me3 peptide
Descriptor: MALONATE ION, Nuclear autoantigen Sp-100, Peptide from Histone H3, ...
Authors:Li, H, Zhang, X.
Deposit date:2015-12-13
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
3QZS
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BU of 3qzs by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form I
Descriptor: Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
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
3QZV
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BU of 3qzv by Molmil
Crystal Structure of BPTF PHD-linker-bromo in complex with histone H4K12ac peptide
Descriptor: Histone H4, Nucleosome-remodeling factor subunit BPTF, ZINC ION
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
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
4JSG
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BU of 4jsg by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(3-aminopropoxy)phenoxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSM
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BU of 4jsm by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSI
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BU of 4jsi by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(((3-fluorophenethyl)amino)methyl)phenoxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
5FB0
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BU of 5fb0 by Molmil
Crystal Structure of a PHD finger bound to histone H3 T3ph peptide
Descriptor: Nuclear autoantigen Sp-100, Peptide from Histone H3, ZINC ION
Authors:Li, H, Zhang, X.
Deposit date:2015-12-13
Release date:2016-05-04
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
4JSH
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BU of 4jsh by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-((3-(piperidin-4-ylmethoxy)phenoxy)methyl)pyridin-2-amine
Descriptor: 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
5FJ3
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BU of 5fj3 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-10-06
Release date:2015-10-28
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4JSJ
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BU of 4jsj by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSF
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BU of 4jsf by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSE
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BU of 4jse by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
3Q8J
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BU of 3q8j by Molmil
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:2019-12-25
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:An Uncommon Crystal Structure of a Marine Knottin Peptide from Asteropus sp.
To be published
5FJ2
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BU of 5fj2 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-10-06
Release date:2015-10-28
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3Q9A
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BU of 3q9a by Molmil
Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Doukov, T, Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2023-09-13
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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BU of 3qlc by Molmil
Complex structure of ATRX ADD domain bound to unmodified H3 1-15 peptide
Descriptor: Transcriptional regulator ATRX, ZINC ION, peptide of Histone H3.3
Authors:Li, H, Patel, D.J.
Deposit date:2011-02-02
Release date:2011-06-15
Last modified:2023-11-01
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
4GQE
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BU of 4gqe by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
Descriptor: (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2012-08-22
Release date:2013-05-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
4JSK
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BU of 4jsk by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4K5K
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BU of 4k5k by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4LUX
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BU of 4lux by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013

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