3N8E
 
 | | Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin) | | Descriptor: | Stress-70 protein, mitochondrial | | Authors: | Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, van der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-28 | | Release date: | 2010-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin)
To be published
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3KJD
 | | Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888 | | Descriptor: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-03 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
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3KCZ
 | | Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide | | Descriptor: | 3-aminobenzamide, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
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3KR8
 | | Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939 | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ... | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-18 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
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6ZA4
 | | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-cyanophenyl)furan-2-carboxylate | | Descriptor: | 5-(3-cyanophenyl)furan-2-carboxylic acid, CHLORIDE ION, Salicylate synthase | | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | Deposit date: | 2020-06-04 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
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6ZA6
 | | M. tuberculosis salicylate synthase MbtI in complex with Ba2+ | | Descriptor: | BARIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | Deposit date: | 2020-06-04 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
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6ZA5
 | | M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+ | | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M. | | Deposit date: | 2020-06-04 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.109 Å) | | Cite: | Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
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5MMU
 | | NMR solution structure of the major apple allergen Mal d 1 | | Descriptor: | Major allergen Mal d 1 | | Authors: | Ahammer, L, Grutsch, S, Kamenik, A.S, Liedl, K.R, Tollinger, M. | | Deposit date: | 2016-12-12 | | Release date: | 2017-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Major Apple Allergen Mal d 1.
J. Agric. Food Chem., 65, 2017
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3JXU
 | | Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ... | | Authors: | Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
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6EXM
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | Authors: | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-11-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EUT
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | | Descriptor: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EUZ
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | | Descriptor: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EXL
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | Authors: | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-11-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EUU
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29) | | Descriptor: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EV0
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6EXK
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ... | | Authors: | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-11-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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6YKD
 | | Human Pim-1 kinase in complex with an inhibitor identified by virtual screening | | Descriptor: | ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | | Authors: | Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors.
Mol Inform, 39, 2020
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3KR7
 | | Human tankyrase 2 - catalytic PARP domain | | Descriptor: | GLYCEROL, SULFATE ION, Tankyrase-2, ... | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-18 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
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6I5O
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6I56
 | | Crystal structure of PBSX exported protein XepA | | Descriptor: | GLYCEROL, Phage-like element PBSX protein XepA | | Authors: | Hakansson, M, Svensson, L.A, Welin, M, Al-Karadaghi, S. | | Deposit date: | 2018-11-13 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS.
Acta Crystallogr D Struct Biol, 75, 2019
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3LLM
 | | Crystal Structure Analysis of a RNA Helicase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, CACODYLATE ION, ... | | Authors: | Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-29 | | Release date: | 2010-05-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human RNA helicase A (DHX9): structural basis for unselective nucleotide base binding in a DEAD-box variant protein.
J.Mol.Biol., 400, 2010
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6Z98
 | | NMR solution structure of the peach allergen Pru p 1.0101 | | Descriptor: | Major allergen Pru p 1 | | Authors: | Eidelpes, R, Fuehrer, S, Hofer, F, Kamenik, A.S, Liedl, K.R, Tollinger, M. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Zeatin Binding of the Peach Allergen Pru p 1 .
J.Agric.Food Chem., 69, 2021
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3MHJ
 | | Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one | | Descriptor: | 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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5LWF
 | | Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis | | Descriptor: | ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S | | Authors: | Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | Deposit date: | 2016-09-16 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To Be Published
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6F7U
 | | Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase | | Descriptor: | Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H. | | Deposit date: | 2017-12-12 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular mechanism of ATP versus GTP selectivity of adenylate kinase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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