6DI9
 
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | GARDBERG, A. | | 登録日 | 2018-05-23 | | 公開日 | 2018-09-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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6DI3
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | GARDBERG, A. | | 登録日 | 2018-05-22 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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6G1L
 | | MITF/CLEARbox structure | | 分子名称: | CLEAR-box, Microphthalmia-associated transcription factor | | 著者 | Pogenberg, V, Wilmanns, M. | | 登録日 | 2018-03-21 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | MITF has a central role in regulating starvation-induced autophagy in melanoma.
Sci Rep, 9, 2019
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7KXM
 | | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | | 分子名称: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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6FYM
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1 | | 分子名称: | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | | 登録日 | 2018-03-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
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4AM7
 | | ADP-BOUND C-TERMINAL DOMAIN OF ACTIN-RELATED PROTEIN ARP8 FROM S. CEREVISIAE | | 分子名称: | ACTIN-LIKE PROTEIN ARP8, ADENOSINE-5'-DIPHOSPHATE | | 著者 | Wuerges, J, Saravanan, M, Bose, D, Cook, N.J, Zhang, X, Wigley, D.B. | | 登録日 | 2012-03-07 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Interactions between the Nucleosome Histone Core and Arp8 in the Ino80 Chromatin Remodeling Complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4AM6
 | | C-TERMINAL DOMAIN OF ACTIN-RELATED PROTEIN ARP8 FROM S. CEREVISIAE | | 分子名称: | ACTIN-LIKE PROTEIN ARP8, SULFATE ION | | 著者 | Wuerges, J, Saravanan, M, Bose, D, Cook, N.J, Zhang, X, Wigley, D.B. | | 登録日 | 2012-03-07 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Interactions between the Nucleosome Histone Core and Arp8 in the Ino80 Chromatin Remodeling Complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4MXE
 | | Human ESCO1 (Eco1/Ctf7 ortholog), acetyltransferase domain in complex with acetyl-CoA | | 分子名称: | ACETYL COENZYME *A, N-acetyltransferase ESCO1 | | 著者 | Karlberg, T, Wisniewska, M, Thorsell, A.G, Kouznetsova, E, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Svensson, L, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2013-09-26 | | 公開日 | 2015-04-08 | | 最終更新日 | 2016-05-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
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6FZM
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6 | | 分子名称: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | | 登録日 | 2018-03-15 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
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6G0W
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor MCD72 | | 分子名称: | 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Thorsell, A.G, Holechek, J, Lease, R, Ferraris, D, Schuler, H. | | 登録日 | 2018-03-20 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14.
Bioorg. Med. Chem. Lett., 28, 2018
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6FX7
 | | Crystal structure of in vitro evolved Af1521 | | 分子名称: | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, [Protein ADP-ribosylglutamate] hydrolase AF_1521 | | 著者 | Karlberg, T, Thorsell, A.G, Nowak, K, Hottiger, M.O, Schuler, H. | | 登録日 | 2018-03-08 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Engineering Af1521 improves ADP-ribose binding and identification of ADP-ribosylated proteins.
Nat Commun, 11, 2020
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4ABL
 | | HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3 | | 分子名称: | BROMIDE ION, POLY [ADP-RIBOSE] POLYMERASE 14 | | 著者 | Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H. | | 登録日 | 2011-12-08 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013
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4ABK
 | | HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3 IN COMPLEX WITH ADENOSINE- 5-DIPHOSPHORIBOSE | | 分子名称: | POLY [ADP-RIBOSE] POLYMERASE 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H. | | 登録日 | 2011-12-08 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013
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4AE5
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8GJ5
 | | fungal pcna and peptidomimetic | | 分子名称: | Proliferating cell nuclear antigen, THR-ASP-ILE-ARG-ASN-PHE-PHE-HIS-SER | | 著者 | Vandborg, B, Bruning, J.B. | | 登録日 | 2023-03-14 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus.
J Fungi, 9, 2023
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8GJF
 | | afupcna bound with peptide mimetic | | 分子名称: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | | 著者 | Vandborg, B, Bruning, J.B. | | 登録日 | 2023-03-15 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus.
J Fungi, 9, 2023
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4N9M
 | | Joint neutron/x-ray structure of urate oxidase in complex with 8-hydroxyxanthine | | 分子名称: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, SODIUM ION, ... | | 著者 | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | 登録日 | 2013-10-21 | | 公開日 | 2014-02-05 | | 最終更新日 | 2018-06-13 | | 実験手法 | NEUTRON DIFFRACTION (2.023 Å), X-RAY DIFFRACTION | | 主引用文献 | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
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4N9V
 | | High resolution x-ray structure of urate oxidase in complex with 8-azaxanthine | | 分子名称: | 8-AZAXANTHINE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | 登録日 | 2013-10-21 | | 公開日 | 2014-02-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
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4G92
 | | CCAAT-binding complex from Aspergillus nidulans with DNA | | 分子名称: | DNA, HAPB protein, HapE, ... | | 著者 | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | | 登録日 | 2012-07-23 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
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4GDE
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4O30
 | | Crystal structure of ATXR5 in complex with histone H3.1 and AdoHcy | | 分子名称: | BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase ATXR6, ... | | 著者 | Bergamin, E, Mongeon, V, Couture, J.F. | | 登録日 | 2013-12-17 | | 公開日 | 2014-03-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Selective methylation of histone H3 variant H3.1 regulates heterochromatin replication.
Science, 343, 2014
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3Q6Z
 | | HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-01-04 | | 公開日 | 2011-02-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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3Q71
 | | Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose | | 分子名称: | Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-01-04 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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4G91
 | | CCAAT-binding complex from Aspergillus nidulans | | 分子名称: | HAPB protein, HapE, Transcription factor HapC (Eurofung) | | 著者 | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | | 登録日 | 2012-07-23 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
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4KRP
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