2XHT
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![BU of 2xht by Molmil](/molmil-images/mine/2xht) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-06-21 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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2XDX
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![BU of 2xdx by Molmil](/molmil-images/mine/2xdx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-05-10 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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2XJX
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![BU of 2xjx by Molmil](/molmil-images/mine/2xjx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2YE3
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![BU of 2ye3 by Molmil](/molmil-images/mine/2ye3) | |
2YKI
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![BU of 2yki by Molmil](/molmil-images/mine/2yki) | Tricyclic series of Hsp90 inhibitors | Descriptor: | 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Dupuy, A, Vallee, F. | Deposit date: | 2011-05-27 | Release date: | 2011-10-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YE6
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![BU of 2ye6 by Molmil](/molmil-images/mine/2ye6) | |
1W0X
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![BU of 1w0x by Molmil](/molmil-images/mine/1w0x) | |
4UGY
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![BU of 4ugy by Molmil](/molmil-images/mine/4ugy) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGO
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![BU of 4ugo by Molmil](/molmil-images/mine/4ugo) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(4-(2-(ethyl(3-(((E)-imino(thiophen-2-yl)methyl)amino)benzyl)amino) ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGF
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![BU of 4ugf by Molmil](/molmil-images/mine/4ugf) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl) pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 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, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGX
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![BU of 4ugx by Molmil](/molmil-images/mine/4ugx) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-((ethyl(2-(3-fluorophenyl)ethyl)amino)methyl)phenyl)thiophene-2- carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UG6
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![BU of 4ug6 by Molmil](/molmil-images/mine/4ug6) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGK
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![BU of 4ugk by Molmil](/molmil-images/mine/4ugk) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(2-(5-(2-(Dimethylamino)ethyl)pyridin-3-yl)ethyl)-4-methylpyridin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGU
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![BU of 4ugu by Molmil](/molmil-images/mine/4ugu) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N'-(4-(((2S,4R)-4-(3-((C-thiophen-2-ylcarbonimidoyl)amino)phenoxy) pyrrolidin-2-yl)methoxy)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UG7
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![BU of 4ug7 by Molmil](/molmil-images/mine/4ug7) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile | Descriptor: | 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGH
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![BU of 4ugh by Molmil](/molmil-images/mine/4ugh) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2- dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGB
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![BU of 4ugb by Molmil](/molmil-images/mine/4ugb) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(((5-(((2-(3-fluorophenyl)ethyl)amino)methyl)pyridin-3-yl)oxy) methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGG
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![BU of 4ugg by Molmil](/molmil-images/mine/4ugg) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl) ethyl)-4-methylpyridin-2-amine | Descriptor: | (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGA
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![BU of 4uga by Molmil](/molmil-images/mine/4uga) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((3-(((2-(3-fluorophenyl)ethyl)amino)methyl)phenoxy)methyl)-4- methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGJ
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![BU of 4ugj by Molmil](/molmil-images/mine/4ugj) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino) ethyl)amino)benzonitrile | Descriptor: | 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UG5
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![BU of 4ug5 by Molmil](/molmil-images/mine/4ug5) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(2-(5-(2-(2-amino-6-methylpyridin-4-yl)ethyl)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGI
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![BU of 4ugi by Molmil](/molmil-images/mine/4ugi) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)-N1,N2- dimethylethane-1,2-diamine | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGD
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![BU of 4ugd by Molmil](/molmil-images/mine/4ugd) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((2S)-1-amino-4-((6-amino-4-methylpyridin-2-yl)methoxy)butan-2-yl) oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGE
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![BU of 4uge by Molmil](/molmil-images/mine/4uge) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 4-methyl-6-((3-(piperidin-4-ylmethoxy)phenoxy)methyl)pyridin-2-amine | Descriptor: | 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGC
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![BU of 4ugc by Molmil](/molmil-images/mine/4ugc) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediyl))bis(4- methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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