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2QYG
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BU of 2qyg by Molmil
Crystal Structure of a RuBisCO-like Protein rlp2 from Rhodopseudomonas palustris
Descriptor: Ribulose bisphosphate carboxylase-like protein 2
Authors:Li, H, Chan, S, Tabita, F.R, Eisenberg, D.
Deposit date:2007-08-14
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Function, structure, and evolution of the RubisCO-like proteins and their RubisCO homologs.
Microbiol.Mol.Biol.Rev., 71, 2007
5B79
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BU of 5b79 by Molmil
Crystal structure of DPF2 double PHD finger
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
6WBR
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BU of 6wbr by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNCC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family,CRISPR-associated endonuclease, Csn1 family, ...
Authors:Li, H, Das, A.
Deposit date:2020-03-27
Release date:2020-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
6WC0
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BU of 6wc0 by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNTC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA (30-MER), ...
Authors:Li, H, Das, A.
Deposit date:2020-03-28
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
2YS5
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BU of 2ys5 by Molmil
Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK
Descriptor: ALK tyrosine kinase receptor, Fibroblast growth factor receptor substrate 3
Authors:Li, H, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2
J.Struct.Funct.Genom., 11, 2010
2YT2
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BU of 2yt2 by Molmil
Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK
Descriptor: Fibroblast growth factor receptor substrate 3 and ALK tyrosine kinase receptor
Authors:Li, H, Koshiba, S, Tomizawa, T, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2
J.Struct.Funct.Genom., 11, 2010
3UFW
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BU of 3ufw by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFP
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BU of 3ufp by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
4UH9
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BU of 4uh9 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UHA
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BU of 4uha by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
Descriptor: 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J. Med. Chem., 58, 2015
4UPM
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BU of 4upm by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UPR
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BU of 4upr by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UH8
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BU of 4uh8 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3- yl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
5ADF
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BU of 5adf by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4UH5
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BU of 4uh5 by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UPQ
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BU of 4upq by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
5ADE
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BU of 5ade by Molmil
Structure of rat neuronal nitric oxide synthase M336V D597N mutant 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:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4UPT
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BU of 4upt by Molmil
structure of bovine endothelial nitric oxide synthase heme domain in complex with n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UH1
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BU of 4uh1 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3- yl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH2
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BU of 4uh2 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UPS
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BU of 4ups by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl) phenyl]thiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
5AD5
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BU of 5ad5 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5ADK
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BU of 5adk by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4UCH
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BU of 4uch by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(((2-((2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL)AMINO)METHYL) BENZONITRILE
Descriptor: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-12-03
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4UGZ
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BU of 4ugz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.076 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015

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