8UFP
 
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, GLYCEROL, Nitric oxide synthase, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8UFS
 | | Structure of human endothelial nitric oxide synthase E361Q mutant heme domain obtain after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CALCIUM ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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3B3N
 | | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ... | | 著者 | Igarashi, J, Li, H, Poulos, T.L. | | 登録日 | 2007-10-22 | | 公開日 | 2008-07-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
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3B3M
 | | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol | | 分子名称: | 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Igarashi, J, Li, H, Poulos, T.L. | | 登録日 | 2007-10-22 | | 公開日 | 2008-07-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
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1JCI
 | | Stabilization of the Engineered Cation-binding Loop in Cytochrome c Peroxidase (CcP) | | 分子名称: | Cytochrome C Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Bhaskar, B, Bonagura, C.A, Li, H, Poulos, T.L. | | 登録日 | 2001-06-09 | | 公開日 | 2002-03-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cation-induced stabilization of the engineered cation-binding loop in cytochrome c peroxidase (CcP).
Biochemistry, 41, 2002
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2CPO
 | | CHLOROPEROXIDASE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, ... | | 著者 | Sundaramoorthy, M, Poulos, T.L. | | 登録日 | 1996-02-10 | | 公開日 | 1997-02-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of chloroperoxidase: a heme peroxidase--cytochrome P450 functional hybrid.
Structure, 3, 1995
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2BMH
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1CP4
 | | FORMATION, CRYSTAL STRUCTURE, AND REARRANGEMENT OF A CYTOCHROME P450-CAM IRON-PHENYL COMPLEX | | 分子名称: | BENZENE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Raag, R, Poulos, T.L. | | 登録日 | 1991-06-04 | | 公開日 | 1993-01-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Formation, crystal structure, and rearrangement of a cytochrome P-450cam iron-phenyl complex.
Biochemistry, 29, 1990
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6CP4
 | | P450CAM D251N MUTANT | | 分子名称: | CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 1998-05-28 | | 公開日 | 1998-09-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
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6WE6
 | | Camphor bound P450cam D251E structure | | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | 著者 | Amaya, J.A, Poulos, T.L, Batabyal, D. | | 登録日 | 2020-04-01 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
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6WFL
 | | Camphor soaked P450cam D251E | | 分子名称: | 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | 著者 | Amaya, J.A, Poulos, T.L, Batabyal, D. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
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1YYD
 | | High Resolution Crystal Structure of Manganese Peroxidase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L. | | 登録日 | 2005-02-24 | | 公開日 | 2005-05-10 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
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6WGW
 | | CYP101D1 D259E Hydroxycamphor bound | | 分子名称: | 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ... | | 著者 | Amaya, J.A, Poulos, T.L, Batabyal, D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
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1YZP
 | | Substrate-free manganese peroxidase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L. | | 登録日 | 2005-02-28 | | 公開日 | 2005-05-10 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
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1YZR
 | | Manganese peroxidase-Sm(III) complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L. | | 登録日 | 2005-02-28 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
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1YYG
 | | Manganese peroxidase complexed with Cd(II) inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L. | | 登録日 | 2005-02-24 | | 公開日 | 2005-05-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
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7M56
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2021-03-22 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.957 Å) | | 主引用文献 | Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens
To be published
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4OXX
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4NSE
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, L-ARG COMPLEX | | 分子名称: | ACETATE ION, ARGININE, CACODYLATE ION, ... | | 著者 | Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | | 登録日 | 1998-10-07 | | 公開日 | 1999-05-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
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1I83
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE) | | 分子名称: | ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ... | | 著者 | Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L. | | 登録日 | 2001-03-12 | | 公開日 | 2001-08-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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2G6H
 | | Structure of rat nNOS heme domain (BH4 bound) in the reduced form | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | | 著者 | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | | 登録日 | 2006-02-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
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2G6J
 | | Structure of rat nNOS (L337N) heme domain (4-aminobiopterin bound) complexed with NO | | 分子名称: | (1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL, ACETATE ION, ARGININE, ... | | 著者 | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | | 登録日 | 2006-02-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
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2G6N
 | | Strcture of rat nNOS heme domain (BH2 bound) complexed with CO | | 分子名称: | 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | | 著者 | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | | 登録日 | 2006-02-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
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2G6O
 | | Structure of bovine eNOS heme domain (BH4-free) complexed with CO | | 分子名称: | ACETATE ION, ARGININE, CACODYLATE ION, ... | | 著者 | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | | 登録日 | 2006-02-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
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2G6L
 | | Structure of rat nNOS heme domain (BH2 bound) complexed with NO | | 分子名称: | 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | | 著者 | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | | 登録日 | 2006-02-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
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