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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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH0
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BU of 4uh0 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2- yl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'-DIMETHYL-ETHANE-1,2-DIAMINE, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH4
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BU of 4uh4 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
分子名称: 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UPP
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BU of 4upp by Molmil
Structure of rat neuronal 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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide, ...
著者Li, H, Poulos, T.L.
登録日2014-06-17
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UH6
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BU of 4uh6 by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
分子名称: 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UPO
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BU of 4upo by Molmil
Structure of rat neuronal 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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, 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, ...
著者Li, H, Poulos, T.L.
登録日2014-06-17
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UH3
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BU of 4uh3 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- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UPN
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BU of 4upn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide, ...
著者Li, H, Poulos, T.L.
登録日2014-06-17
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4V3U
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BU of 4v3u by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7S3Y
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BU of 7s3y by Molmil
Structure ofrat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2021-09-08
公開日2022-09-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase
To be published
7S3X
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BU of 7s3x by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2021-09-08
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective anti-MRSA inhibitors targetting bacterial nitric oxide synthase
To be published
7S3Z
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BU of 7s3z by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2021-09-08
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7297 Å)
主引用文献Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase
To be published
7S40
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BU of 7s40 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2021-09-08
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7969 Å)
主引用文献Selective anti-MRSA inhitors targeting bacterial nitric oxide synthase
To be published
4TMP
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BU of 4tmp by Molmil
Crystal structure of AF9 YEATS bound to H3K9ac peptide
分子名称: 1,2-ETHANEDIOL, ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-ALY-SER-THR, Protein AF-9
著者Li, H, Li, Y, Wang, H, Ren, Y.
登録日2014-06-02
公開日2014-11-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献AF9 YEATS Domain Links Histone Acetylation to DOT1L-Mediated H3K79 Methylation.
Cell, 159, 2014
5IQL
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BU of 5iql by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27cr peptide
分子名称: Histone H3.1, YEATS domain-containing protein 2
著者Li, H, Zhao, D, Guan, H.
登録日2016-03-11
公開日2016-07-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献YEATS2 is a selective histone crotonylation reader.
Cell Res., 26, 2016
5B73
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BU of 5b73 by Molmil
Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain
分子名称: Protein kinase C-binding protein 1, ZINC ION
著者Li, H, Li, Y, Zheng, X.
登録日2016-06-03
公開日2016-11-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes
Mol.Cell, 63, 2016
1FV1
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BU of 1fv1 by Molmil
STRUCTURAL BASIS FOR THE BINDING OF AN IMMUNODOMINANT PEPTIDE FROM MYELIN BASIC PROTEIN IN DIFFERENT REGISTERS BY TWO HLA-DR2 ALLELES
分子名称: GLYCEROL, MAJOR HISTOCOMPATIBILITY COMPLEX ALPHA CHAIN, MAJOR HISTOCOMPATIBILITY COMPLEX BETA CHAIN, ...
著者Li, H, Mariuzza, A.R, Li, Y, Martin, R.
登録日2000-09-18
公開日2000-09-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the binding of an immunodominant peptide from myelin basic protein in different registers by two HLA-DR2 proteins.
J.Mol.Biol., 304, 2000
4QBQ
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BU of 4qbq by Molmil
Crystal structure of DNMT3a ADD domain bound to H3 peptide
分子名称: DNA (cytosine-5)-methyltransferase 3A, Histone H3, ZINC ION
著者Li, H, Patel, D.J.
登録日2014-05-08
公開日2015-05-13
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs
To be Published
7D86
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BU of 7d86 by Molmil
Crystal Structure of zebrafishPHF14-PZP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHD finger protein 14, ...
著者Li, H, Zheng, S.
登録日2020-10-07
公開日2021-07-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
7D8A
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BU of 7d8a by Molmil
Crystal Structure of H3(1-13)/PHF14-PZP fusion protein
分子名称: CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ...
著者Li, H, Zheng, S.
登録日2020-10-07
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
7D87
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BU of 7d87 by Molmil
Crystal Structure of zebrafish PHF14-PZP in complex with H3(1-25)
分子名称: CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ...
著者Li, H, Zheng, S.
登録日2020-10-07
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
8F5Z
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BU of 8f5z by Molmil
Composite map of CryoEM structure of Arabidopsis thaliana phytochrome A
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A
著者Li, H, Li, H.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The structure of Arabidopsis phytochrome A reveals topological and functional diversification among the plant photoreceptor isoforms.
Nat.Plants, 9, 2023
6WZW
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BU of 6wzw by Molmil
Ash1L SET domain in complex with AS-85
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ...
著者Li, H, Deng, J, Cierpicki, T, Grembecka, J.
登録日2020-05-14
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
1FOL
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BU of 1fol by Molmil
REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001

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