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PDB: 857 件
1P6N
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Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
1P6K
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Rat neuronal NOS D597N mutant heme domain 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Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
4I4G
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Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir
分子名称: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2012-11-27
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
4I4H
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Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
著者Sevrioukova, I.F, Poulos, T.L.
登録日2012-11-27
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
4I3Q
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Crystal structure of human CYP3A4 coordinated to a water molecule
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2012-11-26
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
4I1B
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BU of 4i1b by Molmil
FUNCTIONAL IMPLICATIONS OF INTERLEUKIN-1BETA BASED ON THE THREE-DIMENSIONAL STRUCTURE
分子名称: INTERLEUKIN-1 BETA
著者Veerapandian, B, Poulos, T.L, Gilliland, G.L, Raag, R, Svensson, L.A, Masui, Y, Hirai, Y.
登録日1990-03-27
公開日1990-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional implications of interleukin-1 beta based on the three-dimensional structure.
Proteins, 12, 1992
4IMT
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Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((4-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-01-03
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMW
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Structure of rat neuronal nitric oxide synthase in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile
分子名称: 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-01-03
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMS
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BU of 4ims by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-01-03
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
1P6H
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Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
4IMH
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Crystal Structure of Cytoplasmic Heme Binding Protein, PhuS, from Pseudomonas aeruginosa
分子名称: Hemin degrading factor
著者Tripathi, S.M, Poulos, T.L.
登録日2013-01-02
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.976 Å)
主引用文献Crystal structure of the Pseudomonas aeruginosa cytoplasmic heme binding protein, Apo-PhuS.
J.Inorg.Biochem., 128C, 2013
4IMX
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BU of 4imx by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile
分子名称: 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-01-03
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
4IMU
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BU of 4imu by Molmil
Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-01-03
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
J.Med.Chem., 56, 2013
1P6L
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BU of 1p6l by Molmil
Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
1K2T
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BU of 1k2t by Molmil
Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea
分子名称: 2-ETHYL-1-PHENYL-ISOTHIOUREA, 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2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1K2S
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BU of 1k2s by Molmil
Structure of rat brain nNOS heme domain complexed with NG-allyl-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 5-N-ALLYL-ARGININE, ACETATE ION, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1K2R
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BU of 1k2r by Molmil
Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-NITRO-L-ARGININE, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1K2U
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Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl] isothiourea
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1LZX
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BU of 1lzx by Molmil
Rat neuronal NOS heme domain with NG-hydroxy-L-arginine bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ...
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 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
1LZZ
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BU of 1lzz by Molmil
Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-ISOPROPYL-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
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
1MN1
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BU of 1mn1 by Molmil
MANGANESE PEROXIDASE SUBSTRATE BINDING SITE MUTANT D179N
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE PEROXIDASE, ...
著者Sundaramoorthy, M, Poulos, T.L.
登録日1997-04-26
公開日1997-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of substrate binding site mutants of manganese peroxidase.
J.Biol.Chem., 272, 1997
1MNP
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BU of 1mnp by Molmil
MANGANESE PEROXIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ...
著者Sundaramoorthy, M, Poulos, T.L.
登録日1995-01-27
公開日1995-09-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preliminary crystallographic analysis of manganese peroxidase from Phanerochaete chrysosporium.
J.Mol.Biol., 238, 1994
3PNH
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BU of 3pnh by Molmil
Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in complex with 6-(((3R,4R)-4-(2-((2-FLUORO-2-(3-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-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2010-11-18
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.93 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
3PNE
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BU of 3pne by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chlorophenyl)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-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Delker, S, Poulos, T.L.
登録日2010-11-18
公開日2011-11-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 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

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