1U6E
| 1.85 Angstrom Crystal Structure of the C112A Mutant of Mycobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III (FabH) | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase III, CHLORIDE ION | Authors: | Mussayev, F, Sachedeva, S, Scarsdale, J.N, Reynolds, K.A, Wright, H.T. | Deposit date: | 2004-07-29 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A. J.Mol.Biol., 346, 2005
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1U6S
| Crystal Structure of the Complex Between Mycobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III and Lauroyl Coenzyme A | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase III, DODECYL-COA | Authors: | Musayev, F, Sachdeva, S, Scarsdale, J.N, Reynolds, K.A, Wright, H.T. | Deposit date: | 2004-07-30 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A. J.Mol.Biol., 346, 2005
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1YLB
| NMR solution structure of the reduced spinach plastocyanin | Descriptor: | COPPER (I) ION, Plastocyanin, chloroplast | Authors: | Musiani, F, Dikiy, A, Semenov, A.Y, Ciurli, S. | Deposit date: | 2005-01-19 | Release date: | 2005-04-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the Intermolecular Complex between Plastocyanin and Cytochrome f from Spinach. J.Biol.Chem., 280, 2005
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5SVB
| Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase AMP bound structure | Descriptor: | ADENOSINE MONOPHOSPHATE, Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, ... | Authors: | Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W. | Deposit date: | 2016-08-05 | Release date: | 2017-08-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.645 Å) | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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5SVC
| Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase nucleotide-free structure | Descriptor: | Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, Acetone carboxylase gamma subunit, ... | Authors: | Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W. | Deposit date: | 2016-08-05 | Release date: | 2017-08-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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6ZNZ
| 1.89 A resolution 4-methylcatechol (4-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO3
| 1.55 A resolution 3,6-dimethylcatechol (3,6-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO0
| 2.23 A resolution 3,4-dimethylcatechol (3,4-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO1
| 1.61 A resolution 3,5-dimethylcatechol (3,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZNY
| 1.50 A resolution 3-methylcatechol (3-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO2
| 1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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5OL4
| 1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Phosphoramidothioic O,O-acid, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2017-07-26 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Urease Inhibition in the Presence of N-(n-Butyl)thiophosphoric Triamide, a Suicide Substrate: Structure and Kinetics. Biochemistry, 56, 2017
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6G81
| Solution structure of the Ni metallochaperone HypA from Helicobacter pylori | Descriptor: | Hydrogenase maturation factor HypA, ZINC ION | Authors: | Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S. | Deposit date: | 2018-04-07 | Release date: | 2018-10-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools. J. Biol. Inorg. Chem., 23, 2018
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5A6T
| 1.65 A resolution Sulphite inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, SULFATE ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Bertini, L, Musiani, F, Ciurli, S. | Deposit date: | 2015-07-01 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Kinetic and Structural Studies Reveal a Unique Binding Mode of Sulfite to the Nickel Center in Urease. J.Inorg.Biochem., 154, 2015
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2QX1
| Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide | Descriptor: | Beta-ketoacyl-ACP synthase III, COENZYME A, DECANE-1-THIOL | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-08-10 | Release date: | 2008-03-18 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Probing reactivity and substrate specificity of both subunits of the dimeric Mycobacterium tuberculosis FabH using alkyl-CoA disulfide inhibitors and acyl-CoA substrates Bioorg.Chem., 36, 2008
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4HBN
| Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L. | Deposit date: | 2012-09-28 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel. Structure, 20, 2012
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5FSD
| 1.75 A resolution 2,5-dihydroxybenzensulfonate inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, 2,5-dihydroxybenzenesulfonic acid, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-01-04 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface. Dalton Trans, 45, 2016
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5G4H
| 1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inactivation of Urease by Catechol: Kinetics and Structure. J.Inorg.Biochem., 166, 2016
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5FSE
| 2.07 A resolution 1,4-Benzoquinone inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-01-04 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface. Dalton Trans, 45, 2016
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2QNY
| Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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2QNX
| Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid | Descriptor: | 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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2QNZ
| Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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2QO0
| Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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2EFT
| Methanethiol-CYS 112 inhibition complex of E. coli ketoacyl synthase III (FABH) and Coenzyme A (high concentration (1.7mM) soak) | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, COENZYME A, METHANETHIOL, ... | Authors: | Alhamadsheh, M.M, Musayev, F, Komissarov, A.A, Sachdeva, S, Wright, H.T, Scarsdale, N, Florova, G, Reynolds, K.A. | Deposit date: | 2007-02-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes Chem.Biol., 14, 2007
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2GYO
| Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, COENZYME A, METHANETHIOL, ... | Authors: | Alhamadsheh, M.M, Musayev, F, Komissarov, A.A, Sachdeva, S, Wright, H.T, Scarsdale, N, Florova, G, Reynolds, K.A. | Deposit date: | 2006-05-09 | Release date: | 2007-06-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes. Chem.Biol., 14, 2007
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