4BK8
 
 | | 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
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4TVJ
 | | HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB | | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | Authors: | Karlberg, T, Thorsell, A.G, Ekblad, T, Pinto, A.F, Schuler, H. | | Deposit date: | 2014-06-27 | | Release date: | 2015-07-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
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4UND
 | | HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB | | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION | | Authors: | Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H. | | Deposit date: | 2014-05-27 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
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4BFK
 | | 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
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4BGL
 | | 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
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4BFF
 | | 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
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4BFJ
 | | 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
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4C4U
 | | 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
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4BRV
 | | 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
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4C4B
 | | 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
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4BRJ
 | | 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
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6HXR
 | | Human PARP16 (ARTD15) IN COMPLEX WITH EB-47 | | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Mono [ADP-ribose] polymerase PARP16 | | Authors: | Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H. | | Deposit date: | 2018-10-18 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Human PARP16 (ARTD15) IN COMPLEX WITH EB-47
To Be Published
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6HXS
 | | Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD | | Descriptor: | ADENOSINE, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H. | | Deposit date: | 2018-10-18 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD
To Be Published
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6GNK
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GNJ
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form in complex with STO1101 | | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GN0
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form | | Descriptor: | 14-3-3 protein beta/alpha, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GNN
 | | Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101 | | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme T | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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6GN8
 | | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, Exoenzyme S | | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
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4UXB
 | | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION | | Authors: | Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H. | | Deposit date: | 2014-08-21 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
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5LX6
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4R5W
 | | Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Karlberg, T, Thorsell, A.G, Schuler, H. | | Deposit date: | 2014-08-22 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
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4R6E
 | | Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib | | Descriptor: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H. | | Deposit date: | 2014-08-25 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
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4RV6
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4GV0
 | | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 | | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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4GV4
 | | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0328 | | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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