2QTM
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2QIO
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2QX6
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![BU of 2qx6 by Molmil](/molmil-images/mine/2qx6) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QWX
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![BU of 2qwx by Molmil](/molmil-images/mine/2qwx) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-04-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QTN
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![BU of 2qtn by Molmil](/molmil-images/mine/2qtn) | Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase | Descriptor: | GLYCEROL, MAGNESIUM ION, NICOTINATE MONONUCLEOTIDE, ... | Authors: | Sershon, V.C, Santarsiero, B.D, Mesecar, A.D. | Deposit date: | 2007-08-02 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis. J.Mol.Biol., 385, 2009
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2QX8
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![BU of 2qx8 by Molmil](/molmil-images/mine/2qx8) | Crystal Structure of Quinone Reductase II | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QX9
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![BU of 2qx9 by Molmil](/molmil-images/mine/2qx9) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QX4
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![BU of 2qx4 by Molmil](/molmil-images/mine/2qx4) | Crystal Structure of Quinone Reductase II | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | Deposit date: | 2007-08-10 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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4J3F
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![BU of 4j3f by Molmil](/molmil-images/mine/4j3f) | Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold. | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-05 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
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4J1N
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![BU of 4j1n by Molmil](/molmil-images/mine/4j1n) | Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-01 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
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4IQL
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![BU of 4iql by Molmil](/molmil-images/mine/4iql) | Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN | Descriptor: | Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S. | Deposit date: | 2013-01-11 | Release date: | 2014-01-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.938 Å) | Cite: | Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK). Acta Crystallogr F Struct Biol Commun, 74, 2018
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4J4T
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![BU of 4j4t by Molmil](/molmil-images/mine/4j4t) | Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold | Descriptor: | 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
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4NZ9
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![BU of 4nz9 by Molmil](/molmil-images/mine/4nz9) | Crystal Structure of FabI from S. aureus in complex with a novel benzimidazole inhibitor | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mehboob, S, Johnson, M.E, Santarsiero, B.D. | Deposit date: | 2013-12-11 | Release date: | 2014-12-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | To be published To be Published
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4PT5
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5IRO
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2PHM
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![BU of 2phm by Molmil](/molmil-images/mine/2phm) | STRUCTURE OF PHENYLALANINE HYDROXYLASE DEPHOSPHORYLATED | Descriptor: | FE (III) ION, PROTEIN (PHENYLALANINE-4-HYDROXYLASE) | Authors: | Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E. | Deposit date: | 1998-11-11 | Release date: | 1999-04-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of autoregulation of phenylalanine hydroxylase. Nat.Struct.Biol., 6, 1999
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3F4C
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![BU of 3f4c by Molmil](/molmil-images/mine/3f4c) | Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound | Descriptor: | COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase | Authors: | Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A. | Deposit date: | 2008-10-31 | Release date: | 2009-09-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus. Arch.Biochem.Biophys., 488, 2009
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3F4D
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![BU of 3f4d by Molmil](/molmil-images/mine/3f4d) | Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10 | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | Authors: | Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A. | Deposit date: | 2008-10-31 | Release date: | 2009-08-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus. Arch.Biochem.Biophys., 488, 2009
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6CN8
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![BU of 6cn8 by Molmil](/molmil-images/mine/6cn8) | High-resolution structure of ClpC1-NTD binding to Rufomycin-I | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Abad-Zapatero, C, Wolf, N.W. | Deposit date: | 2018-03-07 | Release date: | 2019-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads. Acs Infect Dis., 5, 2019
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1AXS
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![BU of 1axs by Molmil](/molmil-images/mine/1axs) | MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN | Descriptor: | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, OXY-COPE CATALYTIC ANTIBODY | Authors: | Mundorff, E.C, Ulrich, H.D, Stevens, R.C. | Deposit date: | 1997-10-20 | Release date: | 1998-02-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The interplay between binding energy and catalysis in the evolution of a catalytic antibody. Nature, 389, 1997
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1PHZ
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![BU of 1phz by Molmil](/molmil-images/mine/1phz) | STRUCTURE OF PHOSPHORYLATED PHENYLALANINE HYDROXYLASE | Descriptor: | FE (III) ION, PROTEIN (PHENYLALANINE HYDROXYLASE) | Authors: | Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E. | Deposit date: | 1998-11-11 | Release date: | 1999-04-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of autoregulation of phenylalanine hydroxylase. Nat.Struct.Biol., 6, 1999
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4Q1E
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![BU of 4q1e by Molmil](/molmil-images/mine/4q1e) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | Descriptor: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ... | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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4Q1A
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![BU of 4q1a by Molmil](/molmil-images/mine/4q1a) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol} | Descriptor: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2015-02-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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4Q1C
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![BU of 4q1c by Molmil](/molmil-images/mine/4q1c) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol} | Descriptor: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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4Q1F
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![BU of 4q1f by Molmil](/molmil-images/mine/4q1f) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide} | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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