4DNX
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![BU of 4dnx by Molmil](/molmil-images/mine/4dnx) | The structure of the ATP sulfurylase from Allochromatium vinosum in the open state | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sulfate adenylyltransferase | Authors: | Parey, K, Demmer, U, Warkentin, E, Dahl, C, Ermler, U. | Deposit date: | 2012-02-09 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural, biochemical and genetic characterization of dissimilatory ATP sulfurylase from Allochromatium vinosum. Plos One, 8, 2013
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4DPM
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![BU of 4dpm by Molmil](/molmil-images/mine/4dpm) | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with CoA | Descriptor: | COENZYME A, MAGNESIUM ION, Malonyl-CoA/succinyl-CoA reductase | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | Deposit date: | 2012-02-13 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase. J.Biol.Chem., 288, 2013
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4DPK
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![BU of 4dpk by Molmil](/molmil-images/mine/4dpk) | Structure of malonyl-coenzyme A reductase from crenarchaeota | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, PHOSPHATE ION | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | Deposit date: | 2012-02-13 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase. J.Biol.Chem., 288, 2013
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3DAG
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![BU of 3dag by Molmil](/molmil-images/mine/3dag) | The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | Deposit date: | 2008-05-29 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site. Science, 321, 2008
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4GVQ
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![BU of 4gvq by Molmil](/molmil-images/mine/4gvq) | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with tetrahydromethanpterin | Descriptor: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol, Methenyltetrahydromethanopterin cyclohydrolase | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | Deposit date: | 2012-08-31 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase. Biochemistry, 51, 2012
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4GVR
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![BU of 4gvr by Molmil](/molmil-images/mine/4gvr) | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase | Descriptor: | Methenyltetrahydromethanopterin cyclohydrolase | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | Deposit date: | 2012-08-31 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase. Biochemistry, 51, 2012
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4GVS
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![BU of 4gvs by Molmil](/molmil-images/mine/4gvs) | X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with N5-formyl-tetrahydromethanopterin | Descriptor: | 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, Methenyltetrahydromethanopterin cyclohydrolase | Authors: | Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U. | Deposit date: | 2012-08-31 | Release date: | 2012-10-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase. Biochemistry, 51, 2012
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4EG9
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![BU of 4eg9 by Molmil](/molmil-images/mine/4eg9) | 1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus | Descriptor: | CALCIUM ION, Uncharacterized protein SAOUHSC_02783 | Authors: | Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-03-30 | Release date: | 2012-04-11 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus TO BE PUBLISHED
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3E6L
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![BU of 3e6l by Molmil](/molmil-images/mine/3e6l) | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3DAF
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![BU of 3daf by Molmil](/molmil-images/mine/3daf) | The crystal structure of [Fe]-hydrogenase holoenzyme (HMD) from METHANOCALDOCOCCUS JANNASCHII cocrystallized with cyanide | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, CARBON MONOXIDE, ... | Authors: | Pilak, O, Warkentin, E, Shima, S, Thauer, R.K, Ermler, U. | Deposit date: | 2008-05-29 | Release date: | 2008-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site. Science, 321, 2008
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3E7I
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![BU of 3e7i by Molmil](/molmil-images/mine/3e7i) | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E7T
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![BU of 3e7t by Molmil](/molmil-images/mine/3e7t) | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E67
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![BU of 3e67 by Molmil](/molmil-images/mine/3e67) | Murine inos dimer with inhibitor 4-MAP bound | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E6T
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![BU of 3e6t by Molmil](/molmil-images/mine/3e6t) | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4EGD
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![BU of 4egd by Molmil](/molmil-images/mine/4egd) | 1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus | Descriptor: | CALCIUM ION, CHLORIDE ION, Uncharacterized protein SAOUHSC_02783 | Authors: | Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-03-30 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus TO BE PUBLISHED
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4F6T
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![BU of 4f6t by Molmil](/molmil-images/mine/4f6t) | The crystal structure of the molybdenum storage protein (MoSto) from Azotobacter vinelandii loaded with various polyoxometalates | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(6)-O(26) Cluster, ... | Authors: | Kowalewski, B, Poppe, J, Schneider, K, Demmer, U, Warkentin, E, Ermler, U. | Deposit date: | 2012-05-15 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nature's Polyoxometalate Chemistry: X-ray Structure of the Mo Storage Protein Loaded with Discrete Polynuclear Mo-O Clusters. J.Am.Chem.Soc., 134, 2012
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3EBF
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![BU of 3ebf by Molmil](/molmil-images/mine/3ebf) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EBD
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![BU of 3ebd by Molmil](/molmil-images/mine/3ebd) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4G1V
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![BU of 4g1v by Molmil](/molmil-images/mine/4g1v) | X-ray structure of yeast flavohemoglobin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, NITRITE ION, ... | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U. | Deposit date: | 2012-07-11 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole. Febs J., 279, 2012
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4G9P
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![BU of 4g9p by Molmil](/molmil-images/mine/4g9p) | Structure of the GcpE-MEcPP (IspG) complex from Thermus thermophilus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Rekittke, I, Jomaa, H, Ermler, U. | Deposit date: | 2012-07-24 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of the GcpE (IspG)-MEcPP complex from Thermus thermophilus. Febs Lett., 586, 2012
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3E6N
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![BU of 3e6n by Molmil](/molmil-images/mine/3e6n) | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EAI
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![BU of 3eai by Molmil](/molmil-images/mine/3eai) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4G1B
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![BU of 4g1b by Molmil](/molmil-images/mine/4g1b) | X-ray structure of yeast flavohemoglobin in complex with econazole | Descriptor: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, ... | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U. | Deposit date: | 2012-07-10 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole. Febs J., 279, 2012
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4GI2
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![BU of 4gi2 by Molmil](/molmil-images/mine/4gi2) | Crotonyl-CoA Carboxylase/Reductase | Descriptor: | Crotonyl-CoA carboxylase/reductase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Weidenweber, S, Erb, T.J, Ermler, U. | Deposit date: | 2012-08-08 | Release date: | 2013-08-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crotonyl-CoA Carboxylase/Reductase To be Published
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3E7S
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![BU of 3e7s by Molmil](/molmil-images/mine/3e7s) | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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