Author results

1E5D
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RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS
Descriptor:RUBREDOXIN\:OXYGEN OXIDOREDUCTASE, FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, ...
Authors:Frazao, C., Silva, G., Gomes, C.M., Matias, P., Coelho, R., Sieker, L., Macedo, S., Liu, M.Y., Oliveira, S., Teixeira, M., Xavier, A.V., Rodrigues-Pousada, C., Carrondo, M.A., Le Gall, J.
Deposit date:2000-07-24
Release date:2000-11-17
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas
Nat.Struct.Biol., 7, 2000
5AQ6
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STRUCTURE OF E. COLI ZINT AT 1.79 ANGSTROM
Descriptor:METAL-BINDING PROTEIN ZINT, ZINC ION, ACETIC ACID
Authors:Santo, P.E., Colaco, H.G., Matias, P., Vicente, J.B., Bandeiras, T.M.
Deposit date:2015-09-21
Release date:2016-01-27
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Roles of Escherichia Coli Zint in Cobalt, Mercury and Cadmium Resistance and Structural Insights Into the Metal Binding Mechanism
Metallomics, 8, 2016
5J20
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HSP90 IN COMPLEX WITH 5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-N-FURAN-2-YLMETHYL-2,4-DIHYDROXY-N-METHYL-BENZAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-03-29
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J27
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HSP90 IN COMPLEX WITH 5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-2,4-DIHYDROXY-N-METHYL-N-PROPYL-BENZENESULFONAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-03-29
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J2V
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CRYSTAL STRUCTURE OF HSP90-ALPHA APO N-DOMAIN
Descriptor:Heat shock protein HSP 90-alpha
Authors:Amaral, M., Matias, P.
Deposit date:2016-03-30
Release date:2017-10-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J2X
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN IN COMPLEX WITH 5-(5-BROMO-2,4-DIHYDROXY-PHENYL)-4-(2-FLUORO-PHENYL)-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE
Descriptor:Heat shock protein HSP 90-alpha, 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
Authors:Amaral, M., Matias, P.
Deposit date:2016-03-30
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J64
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN IN COMPLEX WITH 5-(2,4-DIHYDROXY-PHENYL)-4-(2-FLUORO-PHENYL)-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE
Descriptor:Heat shock protein HSP 90-alpha, 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-04
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J6L
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN IN COMPLEX WITH N-BUTYL-5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-2,4-DIHYDROXY-N-METHYL-BENZAMIDE
Descriptor:Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-05
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J6M
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN L107 MUTANT IN COMPLEX WITH 5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-N-FURAN-2-YLMETHYL-2,4-DIHYDROXY-N-METHYL-BENZAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-05
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J6N
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN L107A MUTANT IN COMPLEX WITH 5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-2,4-DIHYDROXY-N-METHYL-N-PROPYL-BENZENESULFONAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-05
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J80
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CRYSTAL STRUCTURE OF APO HSP90-ALPHA N-DOMAIN L107A MUTANT
Descriptor:Heat shock protein HSP 90-alpha
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-07
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J82
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN IN COMPLEX 5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-2,4-DIHYDROXY-N-ISOPROPYL-N-METHYL-BENZENESULFONAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-07
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J86
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN IN COMPLEX WITH 2,4-DIHYDROXY-N-METHYL-5-(5-OXO-4-O-TOLYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL)-N-THIOPHEN-2-YLMETHYL-BENZAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-07
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J8M
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN L107A MUTANT IN COMPLEX WITH 5-(5-BROMO-2,4-DIHYDROXY-PHENYL)-4-(2-FLUORO-PHENYL)-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE
Descriptor:Heat shock protein HSP 90-alpha, 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-08
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J8U
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CRYSTAL STRUCTURE OF HSP90-ALPHA N-DOMAIN L107A MUTANT IN COMPLEX WITH 5-(2,4-DIHYDROXY-PHENYL)-4-(2-FLUORO-PHENYL)-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE
Descriptor:Heat shock protein HSP 90-alpha, 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-08
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
5J9X
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HSP90 IN COMPLEX WITH N-BUTYL-5-[4-(2-FLUORO-PHENYL)-5-OXO-4,5-DIHYDRO-1H-[1,2,4]TRIAZOL-3-YL]-2,4-DIHYDROXY-N-METHYL-BENZAMIDE
Descriptor:Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide, DIMETHYL SULFOXIDE
Authors:Amaral, M., Matias, P.
Deposit date:2016-04-11
Release date:2017-12-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
1DFX
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DESULFOFERRODOXIN FROM DESULFOVIBRIO DESULFURICANS, ATCC 27774
Descriptor:DESULFOFERRODOXIN, FE (III) ION, CALCIUM ION
Authors:Coelho, A.V., Matias, P.M., Carrondo, M.A.
Deposit date:1997-09-03
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Desulfoferrodoxin Structure Determined by MAD Phasing and Refinement to 1.9 Angstroms Resolution Reveals a Unique Combination of a Tetrahedral Fes4 Centre with a Square Pyramidal Fesn4 Centre
J.Biol.Inorg.Chem., 2, 1997
6GEH
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STRUCTURE AND REACTIVITY OF A SIDEROPHORE-INTERACTING PROTEIN FROM THE MARINE BACTERIUM SHEWANELLA REVEALS UNANTICIPATED FUNCTIONAL VERSATILITY.
Descriptor:FAD-binding 9, siderophore-interacting domain protein, MAGNESIUM ION, ...
Authors:Trindade, I.B., Silva, J.P.M., Matias, P., Moe, E.
Deposit date:2018-04-26
Release date:2018-11-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and reactivity of a siderophore-interacting protein from the marine bacteriumShewanellareveals unanticipated functional versatility.
J. Biol. Chem., 294, 2019
4C4U
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SUPEROXIDE REDUCTASE (NEELAREDOXIN) FROM ARCHAEOGLOBUS FULGIDUS E12Q MUTANT IN THE REDUCED FORM
Descriptor:SUPEROXIDE REDUCTASE, FE (II) ION
Authors:Bandeiras, T.M., Rodrigues, J.V., Sousa, C.M., Barradas, A.R., Pinho, F.G., Pinto, A.F., Teixeira, M., Matias, P.M., Romao, C.V.
Deposit date:2013-09-09
Release date:2014-08-06
Method:X-RAY DIFFRACTION (2.583 Å)
Cite:Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
6H7X
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FIRST X-RAY STRUCTURE OF FULL-LENGTH HUMAN RUVB-LIKE 2.
Descriptor:RuvB-like 2, MAGNESIUM ION, 1,2-ETHANEDIOL, ...
Authors:Silva, S., Brito, J., Matias, P., Bandeiras, T.
Deposit date:2018-07-31
Release date:2018-08-08
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018