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PDB: 1804 件
4UH3
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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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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
4UPT
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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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2014-06-17
公開日2014-08-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 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
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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.14 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
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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N',N'-{[(2R)-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 (1.9 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
4V3Y
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BU of 4v3y by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine
分子名称: 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.962 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
1M00
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BU of 1m00 by Molmil
Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-BUTYL-N'-HYDROXYGUANIDINE, ...
著者Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L.
登録日2002-06-11
公開日2002-11-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights into NO Biosynthesis
Biochemistry, 41, 2002
1ADG
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CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN
分子名称: ALCOHOL DEHYDROGENASE, BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION
著者Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M.
登録日1993-10-18
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
分子名称: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
著者Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
登録日2007-03-16
公開日2007-06-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
1ZZT
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BU of 1zzt by Molmil
Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1ZZU
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Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1ZZS
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BU of 1zzs by Molmil
Bovine eNOS N368D single mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
1OM5
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BU of 1om5 by Molmil
STRUCTURE OF RAT NEURONAL NOS HEME DOMAIN WITH 3-BROMO-7-NITROINDAZOLE BOUND
分子名称: 3-BROMO-7-NITROINDAZOLE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2003-02-24
公開日2003-03-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Rat Neuronal NOS Heme Domain with 3-Bromo-7-Nitroindazole Bound
To be Published
5XTZ
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BU of 5xtz by Molmil
Crystal structure of GAS41 YEATS bound to H3K27ac peptide
分子名称: ACETATE ION, THR-LYS-ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, YEATS domain-containing protein 4
著者Li, H.T, Zhao, D.
登録日2017-06-21
公開日2018-06-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Gas41 links histone acetylation to H2A.Z deposition and maintenance of embryonic stem cell identity.
Cell Discov, 4, 2018
5U8S
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BU of 5u8s by Molmil
Structure of eukaryotic CMG helicase at a replication fork
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA (26-MER), ...
著者Li, H, Li, B, Georgescu, R, Yuan, Z, Santos, R, Sun, J, Zhang, D, Yurieva, O, O'Donnell, M.E.
登録日2016-12-14
公開日2017-01-25
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4CX4
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BU of 4cx4 by Molmil
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
分子名称: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-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2014-04-03
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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
分子名称: CRISPR-associated endonuclease, Csn1 family,CRISPR-associated endonuclease, Csn1 family, ...
著者Li, H, Das, A.
登録日2020-03-27
公開日2020-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
4CX5
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Structure of rat neuronal nitric oxide synthase H341L mutant 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2014-04-03
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWZ
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BU of 4cwz by Molmil
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
分子名称: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-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2014-04-03
公開日2014-08-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX2
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Structure of bovine endothelial 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: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 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2014-04-03
公開日2014-08-13
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
2NSI
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BU of 2nsi by Molmil
HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ...
著者Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L.
登録日1999-01-11
公開日2000-01-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase.
J.Biol.Chem., 274, 1999
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
分子名称: CRISPR-associated endonuclease, Csn1 family, DNA (30-MER), ...
著者Li, H, Das, A.
登録日2020-03-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
4CX0
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BU of 4cx0 by Molmil
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWY
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Structure of bovine endothelial 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2014-04-03
公開日2014-08-13
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX3
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Structure of rat neuronal nitric oxide synthase M336V D597N mutant 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2014-04-03
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014

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