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PDB: 1804 件

3NNZ
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Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3S,4S)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2010-06-24
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Bioorg.Med.Chem.Lett., 20, 2010
2EFI
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BU of 2efi by Molmil
Solution structure of the chromo domain of Mortality factor 4-like protein 1 from human
分子名称: Mortality factor 4-like protein 1
著者Li, H, Sato, M, Tochio, N, Tomizawa, T, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-22
公開日2007-08-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the chromo domain of Mortality factor 4-like protein 1 from human
To be Published
3UFU
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BU of 3ufu by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
分子名称: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFR
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BU of 3ufr by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
2JW2
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BU of 2jw2 by Molmil
Validation of inter-helical orientation of the steril-alpha-motif of human deleted in liver cancer 2 by residual dipolar couplings
分子名称: StAR-related lipid transfer protein 13
著者Li, H, Sze, K, Fung, K.
登録日2007-10-03
公開日2008-10-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Validation of inter-helical orientation of the steril-alpha-motif of human deleted in liver cancer 2 by residual dipolar couplings
To be Published
2FHH
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BU of 2fhh by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with a peptidyl boronate inhibitor MLN-273
分子名称: (1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID, 20S proteasome, alpha and beta subunits, ...
著者Li, H.
登録日2005-12-23
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structure of the Mycobacterium tuberculosis proteasome and mechanism of inhibition by a peptidyl boronate.
Mol.Microbiol., 59, 2006
3JT9
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BU of 3jt9 by Molmil
Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2009-09-11
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
3JT5
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BU of 3jt5 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2009-09-11
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
3JC5
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BU of 3jc5 by Molmil
Structure of the eukaryotic replicative CMG helicase and pumpjack motion
分子名称: Cell division control protein 45, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
著者Li, H, Bai, L, Yuan, Z, Sun, J, Georgescu, R.E, Liu, J, O'Donnell, M.E.
登録日2015-11-24
公開日2016-02-10
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structure of the eukaryotic replicative CMG helicase suggests a pumpjack motion for translocation.
Nat.Struct.Mol.Biol., 23, 2016
3JT6
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BU of 3jt6 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2009-09-11
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
2CO9
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BU of 2co9 by Molmil
Solution structure of the HMG_box domain of thymus high mobility group box protein TOX from mouse
分子名称: thymus high mobility group box protein TOX
著者Li, H, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-17
公開日2005-11-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the HMG_box domain of thymus high mobility group box protein TOX from mouse
To be Published
2COF
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BU of 2cof by Molmil
Solution structure of the C-terminal PH domain of hypothetical protein KIAA1914 from human
分子名称: Protein KIAA1914
著者Li, H, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-17
公開日2005-11-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the C-terminal PH domain of hypothetical protein KIAA1914 from human
To be Published
1X1F
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BU of 1x1f by Molmil
Solution structure of the PH domain of human Docking protein BRDG1
分子名称: Signal-transducing adaptor protein 1
著者Li, H, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-04-04
公開日2005-10-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PH domain of human Docking protein BRDG1
To be Published
2COA
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BU of 2coa by Molmil
Solution structure of the PH domain of protein kinase C, D2 type from human
分子名称: Protein kinase C, D2 type
著者Li, H, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-17
公開日2005-11-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PH domain of protein kinase C, D2 type from human
To be Published
3QLN
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BU of 3qln by Molmil
Crystal structure of ATRX ADD domain in free state
分子名称: Transcriptional regulator ATRX, ZINC ION
著者Li, H, Patel, D.J.
登録日2011-02-03
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome
Nat.Struct.Mol.Biol., 18, 2011
2KUQ
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BU of 2kuq by Molmil
Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of HALK
分子名称: Fibroblast growth factor receptor substrate 3,LINKER,ALK tyrosine kinase receptor
著者Li, H, Koshiba, S, Tomizawa, T, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-02-24
公開日2010-05-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献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
3NNY
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BU of 3nny by Molmil
Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2010-06-24
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Bioorg.Med.Chem.Lett., 20, 2010
2F6J
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BU of 2f6j by Molmil
Crystal structure of PHD finger-linker-bromodomain fragment of human BPTF in the H3(1-15)K4me3 bound state
分子名称: ZINC ION, bromodomain PHD finger transcription factor, histone H3, ...
著者Li, H, Patel, D.J.
登録日2005-11-29
公開日2006-07-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for site-specific read-out of histone H3K4me3 by the BPTF PHD finger of NURF.
Nature, 442, 2006
4EUX
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BU of 4eux by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2012-04-25
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3TYO
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BU of 3tyo by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((furan-2-ylmethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
5GRQ
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BU of 5grq by Molmil
Crystal Structure of DHB domain of Daxx in complex with an ATRX peptide
分子名称: ACETATE ION, CHLORIDE ION, Death domain-associated protein 6, ...
著者Li, H.
登録日2016-08-12
公開日2017-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Crystal Structure of DHB domain of Daxx in complex with an ATRX peptide
To be published
3SVP
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BU of 3svp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-07-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
3SVQ
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BU of 3svq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-07-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
8HMX
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BU of 8hmx by Molmil
WDR5 in complex with histone H3Q5his peptide
分子名称: WD repeat-containing protein 5, histone H3Q5his peptide
著者Li, H.T, Zhao, S, Wang, H.F.
登録日2022-12-06
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献WDR5 in complex with histone H3Q5his peptide
To Be Published
8P2W
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BU of 8p2w by Molmil
Structure of human SIT1 (focussed map / refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
著者Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
登録日2023-05-16
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024

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