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2V5Q
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BU of 2v5q by Molmil
CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN
Descriptor: DESIGN ANKYRIN REPEAT PROTEIN, SERINE/THREONINE-PROTEIN KINASE PLK1
Authors:Bandeiras, T.M, Hillig, R.C, Matias, P.M, Eberspaecher, U, Fanghaenel, J, Thomaz, M, Miranda, S, Crusius, K, Puetter, V, Amstutz, P, Gulotti-Georgieva, M, Binz, H.K, Holz, C, Schmitz, A.A.P, Lang, C, Donner, P, Egner, U, Carrondo, M.A, Mueller-Tiemann, B.
Deposit date:2007-07-08
Release date:2008-04-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of wild-type Plk-1 kinase domain in complex with a selective DARPin.
Acta Crystallogr. D Biol. Crystallogr., 64, 2008
4BGL
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BU of 4bgl by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus
Descriptor: FE (III) ION, GLYCEROL, SUPEROXIDE REDUCTASE
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:2013-03-27
Release date:2014-04-09
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction
Acta Crystallogr.,Sect.D, 71, 2015
4BFF
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BU of 4bff by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus in the reduced form
Descriptor: FE (II) ION, SUPEROXIDE REDUCTASE
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:2013-03-18
Release date:2014-03-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
4BFK
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BU of 4bfk by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant
Descriptor: FE (III) ION, SUPEROXIDE REDUCTASE
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:2013-03-19
Release date:2014-03-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
4BFJ
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BU of 4bfj by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12V mutant
Descriptor: FE (III) ION, SUPEROXIDE REDUCTASE
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:2013-03-19
Release date:2014-03-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
4C4U
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BU of 4c4u by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant in the reduced form
Descriptor: FE (II) ION, SUPEROXIDE REDUCTASE
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
Last modified:2023-12-20
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
4C4B
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BU of 4c4b by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12V in the reduced form
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, SUPEROXIDE REDUCTASE
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:2013-09-03
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Understanding the Role of Key Residues in the Superoxide Reductase Molecular Mechanism, Exploring Archaeoglobus Fulgidus Sor Structure
To be Published
2XSZ
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BU of 2xsz by Molmil
The dodecameric human RuvBL1:RuvBL2 complex with truncated domains II
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RUVB-LIKE 1, RUVB-LIKE 2
Authors:Gorynia, S, Bandeiras, T.M, Matias, P.M, Pinho, F.G, McVey, C.E, Vonrhein, C, Svergun, D.I, Round, A, Donner, P, Carrondo, M.A.
Deposit date:2010-10-01
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Insights Into a Dodecameric Molecular Machine - the Ruvbl1/Ruvbl2 Complex.
J.Struct.Biol., 176, 2011
7OGI
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BU of 7ogi by Molmil
Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Descriptor: DIMETHYL SULFOXIDE, N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Silva, D.O, Graedler, U, Bandeiras, T.M.
Deposit date:2021-05-06
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
5AQ6
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BU of 5aq6 by Molmil
Structure of E. coli ZinT at 1.79 Angstrom
Descriptor: ACETIC ACID, METAL-BINDING PROTEIN ZINT, ZINC ION
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:2019-10-23
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
3H8I
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BU of 3h8i by Molmil
The first X-ray structure of a sulfide:quinone oxidoreductase: Insights into sulfide oxidation mechanism
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ...
Authors:Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M.
Deposit date:2009-04-29
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
3H8L
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BU of 3h8l by Molmil
The first X-ray structure of a sulfide:quinone oxidoreductase: insights into sulfide oxidation mechanism
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ...
Authors:Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M.
Deposit date:2009-04-29
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
7ZJP
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BU of 7zjp by Molmil
Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106
Descriptor: 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1
Authors:Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D.
Deposit date:2022-04-11
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
6GQ8
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BU of 6gq8 by Molmil
Superoxide reductase from Nanoarchaeum equitans
Descriptor: FE (III) ION, NEQ011
Authors:Romao, C.V, Matias, P.M, Teixeira, M, Bandeiras, T.M.
Deposit date:2018-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Structures of Superoxide Reductases from the Symbionts Ignicoccus hospitalis and Nanoarchaeum equitans.
Biochemistry, 57, 2018
4BK8
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BU of 4bk8 by Molmil
Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis
Descriptor: DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION
Authors:Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M.
Deposit date:2013-04-22
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure of a Natural Sor Mutant
To be Published
7R2L
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BU of 7r2l by Molmil
Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Descriptor: DIMETHYL SULFOXIDE, N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Silva, D.O, Graedler, U, Bandeiras, T.M.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
7R2J
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BU of 7r2j by Molmil
Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Descriptor: DIMETHYL SULFOXIDE, N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Silva, D.O, Graedler, U, Bandeiras, T.M.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
5MMS
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BU of 5mms by Molmil
Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Vicente, J.B, Colaco, H.G, Malagrino, F, Santo, P.E, Gutierres, A, Bandeiras, T.M, Leandro, P, Brito, J.A, Giuffre, A.
Deposit date:2016-12-12
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Clinically Relevant Variant of the Human Hydrogen Sulfide-Synthesizing Enzyme Cystathionine beta-Synthase: Increased CO Reactivity as a Novel Molecular Mechanism of Pathogenicity?
Oxid Med Cell Longev, 2017, 2017
4BRV
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BU of 4brv by Molmil
Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis E23A
Descriptor: DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION
Authors:Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M.
Deposit date:2013-06-05
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of a Natural Sor Mutant
To be Published
4BRJ
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BU of 4brj by Molmil
Superoxide reductase (Neelaredoxin) from Ignicoccus hospitalis T24K
Descriptor: DESULFOFERRODOXIN, FERROUS IRON-BINDING REGION, FE (III) ION
Authors:Romao, C.V, Matias, P.M, Pinho, F.G, Sousa, C.M, Barradas, A.R, Pinto, A.F, Teixeira, M, Bandeiras, T.M.
Deposit date:2013-06-04
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a Natural Sor Mutant
To be Published
4D7P
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BU of 4d7p by Molmil
Superoxide reductase (1Fe-SOR) from Giardia intestinalis
Descriptor: FE (III) ION, SUPEROXIDE REDUCTASE
Authors:Sousa, C.M, Carpentier, P, Matias, P.M, Testa, F, Pinho, F.G, Sarti, P, Giuffre, A, Bandeiras, T.M, Romao, C.V.
Deposit date:2014-11-26
Release date:2015-10-07
Last modified:2015-11-11
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction.
Acta Crystallogr.,Sect.D, 71, 2015
6I99
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BU of 6i99 by Molmil
Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24
Descriptor: Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
Authors:Sousa, B.B, Matias, P.M, Marques, M.C, Seixas, J.D, Bernardes, G.J.L.
Deposit date:2018-11-22
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors
Chem.Biol., 2020
6H7X
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BU of 6h7x by Molmil
First X-ray structure of full-length human RuvB-Like 2.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Silva, S, Brito, J.A, Matias, P, Bandeiras, T.
Deposit date:2018-07-31
Release date:2018-08-08
Last modified:2024-01-17
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
6EZ4
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BU of 6ez4 by Molmil
NMR structure of the C-terminal domain of the human RPAP3 protein
Descriptor: RNA polymerase II-associated protein 3
Authors:Fabre, P, Chagot, M.E, Bragantini, B, Manival, X, Quinternet, M.
Deposit date:2017-11-14
Release date:2018-04-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones.
Nat Commun, 9, 2018
7ZJQ
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BU of 7zjq by Molmil
Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Descriptor: 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid, Transcriptional enhancer factor TEF-5
Authors:Musil, D, Sousa, C.M.
Deposit date:2022-04-11
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022

 

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