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PDB: 1647 件

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
8SGK
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BU of 8sgk by Molmil
CryoEM structure of Deinococcus radiodurans BphP photosensory module in Pr state
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Li, H, Li, H.
登録日2023-04-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献CryoEM structure of Deinococcus radiodurans BphP photosensory module in Pr state
To Be Published
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
7UQX
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BU of 7uqx by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with UDP-GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, Exostosin-2, ...
著者Li, H, Li, H.
登録日2022-04-20
公開日2022-09-28
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
7UQY
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BU of 7uqy by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with UDP-GlcA
分子名称: Exostosin-1, Exostosin-2, URIDINE-5'-DIPHOSPHATE, ...
著者Li, H, Li, H.
登録日2022-04-20
公開日2022-09-28
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
8IGL
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BU of 8igl by Molmil
Crystal structure of a major fragment of the ASFV inner capsid protein p150
分子名称: CP2475L
著者Li, H, Liu, Q, Xiang, Y.
登録日2023-02-20
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Assembly of the African Swine Fever Virus Inner Capsid.
J.Virol., 97, 2023
3P6Y
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BU of 3p6y by Molmil
CF Im25-CF Im68-UGUAA complex
分子名称: 5'-R(*UP*GP*UP*AP*A)-3', Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 6
著者Li, H, Tong, S, Li, X, Shi, H, Gao, Y, Ge, H, Niu, L, Teng, M.
登録日2010-10-11
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of pre-mRNA recognition by the human cleavage factor Im complex
To be Published

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件を2024-07-17に公開中

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