6NGC
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![BU of 6ngc by Molmil](/molmil-images/mine/6ngc) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3JT7
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![BU of 3jt7 by Molmil](/molmil-images/mine/3jt7) | Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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3NJT
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![BU of 3njt by Molmil](/molmil-images/mine/3njt) | Crystal structure of the R450A mutant of the membrane protein FhaC | Descriptor: | Filamentous hemagglutinin transporter protein fhaC | Authors: | Clantin, B, Delattre, A.S, Jacob-Dubuisson, F, Villeret, V. | Deposit date: | 2010-06-18 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Functional importance of a conserved sequence motif in FhaC, a prototypic member of the TpsB/Omp85 superfamily. Febs J., 277, 2010
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6NGP
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![BU of 6ngp by Molmil](/molmil-images/mine/6ngp) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NH3
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![BU of 6nh3 by Molmil](/molmil-images/mine/6nh3) | Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3NLF
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![BU of 3nlf by Molmil](/molmil-images/mine/3nlf) | Structure of endothelial nitric oxide synthase heme domain complexed with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Ji, H, Delker, S.L, Li, H, Martasek, P, Roman, L, Poulos, T.L, Silverman, R.B. | Deposit date: | 2010-06-21 | Release date: | 2010-11-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives. J.Med.Chem., 53, 2010
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4CCD
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![BU of 4ccd by Molmil](/molmil-images/mine/4ccd) | STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH D-GALACTAL: ENZYME- INTERMEDIATE COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-alpha-D-galactopyranose, ... | Authors: | Hill, C.H, Graham, S.C, Read, R.J, Deane, J.E. | Deposit date: | 2013-10-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Snapshots Illustrate the Catalytic Cycle of Beta-Galactocerebrosidase, the Defective Enzyme in Krabbe Disease Proc.Natl.Acad.Sci.USA, 110, 2013
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8GRO
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![BU of 8gro by Molmil](/molmil-images/mine/8gro) | AtOSCA3.1 contracted state | Descriptor: | CSC1-like protein ERD4 | Authors: | Zhang, M.F. | Deposit date: | 2022-09-02 | Release date: | 2023-06-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity. Nat Commun, 14, 2023
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3NLR
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![BU of 3nlr by Molmil](/molmil-images/mine/3nlr) | Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-06-21 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives. J.Med.Chem., 53, 2010
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3K8Z
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![BU of 3k8z by Molmil](/molmil-images/mine/3k8z) | Crystal Structure of Gudb1 a decryptified secondary glutamate dehydrogenase from B. subtilis | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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8G3F
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![BU of 8g3f by Molmil](/molmil-images/mine/8g3f) | BceAB-S nucleotide free BceS state 1 | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2023-02-07 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module. Nat Commun, 14, 2023
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3K9P
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![BU of 3k9p by Molmil](/molmil-images/mine/3k9p) | The crystal structure of E2-25K and ubiquitin complex | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 K | Authors: | Kang, G.B, Ko, S, Song, S.M, Lee, W, Eom, S.H. | Deposit date: | 2009-10-16 | Release date: | 2010-09-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity J.Biol.Chem., 285, 2010
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4BX7
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![BU of 4bx7 by Molmil](/molmil-images/mine/4bx7) | trans-divalent streptavidin bound to biotin-4-fluorescein | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, STREPTAVIDIN, biotin-4-fluorescein | Authors: | Fairhead, M, Krndija, D, Lowe, E.D, Howarth, M. | Deposit date: | 2013-07-08 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Plug-and-Play Pairing Via Defined Divalent Streptavidins. J.Mol.Biol., 426, 2014
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3NK1
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![BU of 3nk1 by Molmil](/molmil-images/mine/3nk1) | Complex of 6-hydroxy-L-nicotine oxidase with serotonin | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-18 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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6SPD
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![BU of 6spd by Molmil](/molmil-images/mine/6spd) | Pseudomonas aeruginosa 50s ribosome from a clinical isolate | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | Authors: | Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A. | Deposit date: | 2019-09-01 | Release date: | 2019-10-16 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate. Proc.Natl.Acad.Sci.USA, 116, 2019
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3NMT
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![BU of 3nmt by Molmil](/molmil-images/mine/3nmt) | Crystal structure of pyrabactin bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase HAB1 | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | Deposit date: | 2010-06-22 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification and mechanism of ABA receptor antagonism. Nat.Struct.Mol.Biol., 17, 2010
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8GQU
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![BU of 8gqu by Molmil](/molmil-images/mine/8gqu) | AK-42 inhibitor binding human ClC-2 TMD | Descriptor: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2 | Authors: | Wang, L. | Deposit date: | 2022-08-30 | Release date: | 2023-07-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42. Nat Commun, 14, 2023
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6NGE
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![BU of 6nge by Molmil](/molmil-images/mine/6nge) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(2,3-difluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3JWY
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![BU of 3jwy by Molmil](/molmil-images/mine/3jwy) | Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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3NN6
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![BU of 3nn6 by Molmil](/molmil-images/mine/3nn6) | Crystal structure of inhibitor-bound in active centre 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, (2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ... | Authors: | Kachalova, G.S, Bartunik, H.D. | Deposit date: | 2010-06-23 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans. J.Mol.Biol., 396, 2010
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8G3B
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![BU of 8g3b by Molmil](/molmil-images/mine/8g3b) | BceAB-S nucleotide free TM state 2 | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | Authors: | George, N.L, Orlando, B.J. | Deposit date: | 2023-02-07 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module. Nat Commun, 14, 2023
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6NGQ
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![BU of 6ngq by Molmil](/molmil-images/mine/6ngq) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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3NLP
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![BU of 3nlp by Molmil](/molmil-images/mine/3nlp) | Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-06-21 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives. J.Med.Chem., 53, 2010
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6NH0
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![BU of 6nh0 by Molmil](/molmil-images/mine/6nh0) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(4-methylmorpholin-3-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NK2
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![BU of 6nk2 by Molmil](/molmil-images/mine/6nk2) | |