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3KJD
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BU of 3kjd by Molmil
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者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)
登録日2009-11-03
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
6HXS
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Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD
分子名称: ADENOSINE, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ...
著者Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H.
登録日2018-10-18
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD
To Be Published
3KCZ
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Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide
分子名称: 3-aminobenzamide, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者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)
登録日2009-10-22
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
4L7R
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Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400
分子名称: N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L6Z
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Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1168
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-13
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L7O
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Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542
分子名称: DIMETHYL SULFOXIDE, N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L7L
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Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368
分子名称: DIMETHYL SULFOXIDE, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L7U
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Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398
分子名称: Poly [ADP-ribose] polymerase 3, methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4M7B
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Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854
分子名称: 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, SULFATE ION, Tankyrase-2, ...
著者Karlberg, T, Camaioni, E, Schuler, H.
登録日2013-08-12
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3-b]pyridazin-8-amine Derivatives as Tankyrase Inhibitors.
J.Med.Chem., 57, 2014
3FE2
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Human DEAD-BOX RNA helicase DDX5 (P68), conserved domain I in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX5, ...
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-11-27
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases
Plos One, 5, 2010
3GEY
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BU of 3gey by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34
分子名称: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 15
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-02-26
公開日2009-03-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
3JXU
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BU of 3jxu by Molmil
Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ...
著者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)
登録日2009-09-21
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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
6GN0
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Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form
分子名称: 14-3-3 protein beta/alpha, Exoenzyme S
著者Karlberg, T, Pinto, A.F, Hornyak, P, Nareoja, K, Schuler, H.
登録日2018-05-29
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
6GNN
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Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101
分子名称: 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
著者Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H.
登録日2018-05-31
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
6GN8
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Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 14-3-3 protein beta/alpha, Exoenzyme S
著者Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H.
登録日2018-05-30
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface.
Nat Commun, 9, 2018
4L70
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Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0352
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-13
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
3GOY
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Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide
分子名称: 3-aminobenzamide, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Moche, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-03-20
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
3G0H
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Human dead-box RNA helicase DDX19, in complex with an ATP-analogue and RNA
分子名称: 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', ATP-dependent RNA helicase DDX19B, GLYCEROL, ...
著者Karlberg, T, Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-01-28
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The DEXD/H-box RNA Helicase DDX19 Is Regulated by an {alpha}-Helical Switch.
J.Biol.Chem., 284, 2009
4L7P
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Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395
分子名称: (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L7N
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Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
3GZC
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Structure of human selenocysteine lyase
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Selenocysteine lyase
著者Collins, R, Hogbom, M, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-04-07
公開日2009-04-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical discrimination between selenium and sulfur 1: a single residue provides selenium specificity to human selenocysteine lyase.
Plos One, 7, 2012
3KR8
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Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939
分子名称: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ...
著者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)
登録日2009-11-18
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
3KR7
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Human tankyrase 2 - catalytic PARP domain
分子名称: GLYCEROL, SULFATE ION, Tankyrase-2, ...
著者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)
登録日2009-11-18
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
3GZD
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Human selenocysteine lyase, P1 crystal form
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, NITRATE ION, Selenocysteine lyase
著者Karlberg, T, Hogbom, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-04-07
公開日2009-04-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical discrimination between selenium and sulfur 1: a single residue provides selenium specificity to human selenocysteine lyase.
Plos One, 7, 2012
3CZD
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Crystal structure of human glutaminase in complex with L-glutamate
分子名称: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
著者Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-04-29
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012

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