8FGB
 
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-6-methylpyrimidin-2-amine | | 分子名称: | 4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2022-12-12 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
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7QRC
 | | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | | 分子名称: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | | 著者 | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | | 登録日 | 2022-01-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
Eur.J.Med.Chem., 243, 2022
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8FGA
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2022-12-12 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8947 Å) | | 主引用文献 | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
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5VUR
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | 分子名称: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-05-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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4MW5
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415) | | 分子名称: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | 登録日 | 2013-09-24 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.347 Å) | | 主引用文献 | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4QXH
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7OSE
 | | cytochrome bd-II type oxidase with bound aurachin D | | 分子名称: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | | 著者 | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | | 登録日 | 2021-06-08 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D.
Nat Commun, 12, 2021
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5VUK
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-05-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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6X6P
 | | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | | 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, Spike glycoprotein | | 著者 | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | | 登録日 | 2020-05-28 | | 公開日 | 2020-06-10 | | 最終更新日 | 2021-01-27 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis.
Biorxiv, 2020
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5G0N
 | | Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2016-03-21 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.936 Å) | | 主引用文献 | Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase.
Biochemistry, 55, 2016
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4QX7
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4QZV
 | | Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry | | 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, Dipeptidyl peptidase 4, ... | | 著者 | Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W. | | 登録日 | 2014-07-29 | | 公開日 | 2014-10-29 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.592 Å) | | 主引用文献 | Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
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5FVO
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine, NITRIC OXIDE SYNTHASE, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2016-02-10 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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5WBG
 | | Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz | | 分子名称: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2017-06-29 | | 公開日 | 2018-05-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
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5FVP
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine | | 分子名称: | 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2016-02-10 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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1NSI
 | | HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-BOUND, L-ARG COMPLEX | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, GLYCEROL, ... | | 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 | 1999-01-10 | | 公開日 | 2000-01-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 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
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2OT7
 | | Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9 | | 分子名称: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | 著者 | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2007-02-07 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.135 Å) | | 主引用文献 | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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5Y3C
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2ORR
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex | | 分子名称: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ... | | 著者 | Adler, M, Whitlow, M. | | 登録日 | 2007-02-04 | | 公開日 | 2007-04-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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7P1K
 | | Cryo EM structure of bison NHA2 in nano disc structure | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Phosphatidylinositol, mitochondrial sodium/hydrogen exchanger 9B2 | | 著者 | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | | 登録日 | 2021-07-01 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | | 主引用文献 | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
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7P1I
 | | Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix | | 分子名称: | mitochondrial sodium/hydrogen exchanger 9B2 | | 著者 | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | | 登録日 | 2021-07-01 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
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7P1J
 | | Cryo EM structure of bison NHA2 in detergent structure | | 分子名称: | mitochondrial sodium/hydrogen exchanger 9B2 | | 著者 | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | | 登録日 | 2021-07-01 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
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2ORT
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex | | 分子名称: | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ... | | 著者 | Adler, M, Whitlow, M. | | 登録日 | 2007-02-04 | | 公開日 | 2007-04-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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2OM2
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4L0E
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