4UGZ
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![BU of 4ugz by Molmil](/molmil-images/mine/4ugz) | 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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4UH0
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![BU of 4uh0 by Molmil](/molmil-images/mine/4uh0) | 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 | Descriptor: | 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, ... | 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 (2.039 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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4UH4
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![BU of 4uh4 by Molmil](/molmil-images/mine/4uh4) | 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 | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 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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4UPP
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![BU of 4upp by Molmil](/molmil-images/mine/4upp) | 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 | Descriptor: | 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, ... | 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 (1.91 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
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4UH6
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![BU of 4uh6 by Molmil](/molmil-images/mine/4uh6) | 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 | Descriptor: | 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | 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 (1.98 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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4UPO
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![BU of 4upo by Molmil](/molmil-images/mine/4upo) | 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 | Descriptor: | 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, ... | 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 (1.95 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
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4UH3
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![BU of 4uh3 by Molmil](/molmil-images/mine/4uh3) | 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 | Descriptor: | 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, ... | 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 (2.03 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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4UPN
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![BU of 4upn by Molmil](/molmil-images/mine/4upn) | 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 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N''-{[(2S)-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 (2.09 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
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4V3U
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![BU of 4v3u by Molmil](/molmil-images/mine/4v3u) | 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 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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7S3Y
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![BU of 7s3y by Molmil](/molmil-images/mine/7s3y) | |
7S3X
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![BU of 7s3x by Molmil](/molmil-images/mine/7s3x) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2021-09-08 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Selective anti-MRSA inhibitors targetting bacterial nitric oxide synthase To be published
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7S3Z
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![BU of 7s3z by Molmil](/molmil-images/mine/7s3z) | 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 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2021-09-08 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7297 Å) | Cite: | Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase To be published
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7S40
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![BU of 7s40 by Molmil](/molmil-images/mine/7s40) | |
4TMP
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![BU of 4tmp by Molmil](/molmil-images/mine/4tmp) | Crystal structure of AF9 YEATS bound to H3K9ac peptide | Descriptor: | 1,2-ETHANEDIOL, ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-ALY-SER-THR, Protein AF-9 | Authors: | Li, H, Li, Y, Wang, H, Ren, Y. | Deposit date: | 2014-06-02 | Release date: | 2014-11-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AF9 YEATS Domain Links Histone Acetylation to DOT1L-Mediated H3K79 Methylation. Cell, 159, 2014
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5IQL
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![BU of 5iql by Molmil](/molmil-images/mine/5iql) | |
5B73
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![BU of 5b73 by Molmil](/molmil-images/mine/5b73) | Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain | Descriptor: | Protein kinase C-binding protein 1, ZINC ION | Authors: | Li, H, Li, Y, Zheng, X. | Deposit date: | 2016-06-03 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes Mol.Cell, 63, 2016
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1FV1
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![BU of 1fv1 by Molmil](/molmil-images/mine/1fv1) | STRUCTURAL BASIS FOR THE BINDING OF AN IMMUNODOMINANT PEPTIDE FROM MYELIN BASIC PROTEIN IN DIFFERENT REGISTERS BY TWO HLA-DR2 ALLELES | Descriptor: | GLYCEROL, MAJOR HISTOCOMPATIBILITY COMPLEX ALPHA CHAIN, MAJOR HISTOCOMPATIBILITY COMPLEX BETA CHAIN, ... | Authors: | Li, H, Mariuzza, A.R, Li, Y, Martin, R. | Deposit date: | 2000-09-18 | Release date: | 2000-09-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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4QBQ
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![BU of 4qbq by Molmil](/molmil-images/mine/4qbq) | Crystal structure of DNMT3a ADD domain bound to H3 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone H3, ZINC ION | Authors: | Li, H, Patel, D.J. | Deposit date: | 2014-05-08 | Release date: | 2015-05-13 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs To be Published
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7D86
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![BU of 7d86 by Molmil](/molmil-images/mine/7d86) | Crystal Structure of zebrafishPHF14-PZP | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHD finger protein 14, ... | Authors: | Li, H, Zheng, S. | Deposit date: | 2020-10-07 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14. Nucleic Acids Res., 49, 2021
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7D8A
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![BU of 7d8a by Molmil](/molmil-images/mine/7d8a) | Crystal Structure of H3(1-13)/PHF14-PZP fusion protein | Descriptor: | CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ... | Authors: | Li, H, Zheng, S. | Deposit date: | 2020-10-07 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14. Nucleic Acids Res., 49, 2021
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7D87
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![BU of 7d87 by Molmil](/molmil-images/mine/7d87) | Crystal Structure of zebrafish PHF14-PZP in complex with H3(1-25) | Descriptor: | CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ... | Authors: | Li, H, Zheng, S. | Deposit date: | 2020-10-07 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14. Nucleic Acids Res., 49, 2021
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2NAE
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![BU of 2nae by Molmil](/molmil-images/mine/2nae) | Membrane-bound mouse CD28 cytoplasmic tail | Descriptor: | T-cell-specific surface glycoprotein CD28 | Authors: | Li, H, Xu, C, Pan, W. | Deposit date: | 2015-12-23 | Release date: | 2016-12-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dynamic regulation of CD28 conformation and signaling by charged lipids and ions. Nat.Struct.Mol.Biol., 24, 2017
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8F5Z
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![BU of 8f5z by Molmil](/molmil-images/mine/8f5z) | Composite map of CryoEM structure of Arabidopsis thaliana phytochrome A | Descriptor: | 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 | Authors: | Li, H, Li, H. | Deposit date: | 2022-11-15 | Release date: | 2023-06-28 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The structure of Arabidopsis phytochrome A reveals topological and functional diversification among the plant photoreceptor isoforms. Nat.Plants, 9, 2023
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6WZW
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![BU of 6wzw by Molmil](/molmil-images/mine/6wzw) | Ash1L SET domain in complex with AS-85 | Descriptor: | 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, ... | Authors: | Li, H, Deng, J, Cierpicki, T, Grembecka, J. | Deposit date: | 2020-05-14 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity. Nat Commun, 12, 2021
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1FOL
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![BU of 1fol by Molmil](/molmil-images/mine/1fol) | REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE) | Descriptor: | ACETATE ION, ARGININE, CACODYLATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L. | Deposit date: | 2000-08-28 | Release date: | 2001-07-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors Biochemistry, 40, 2001
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