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4O43
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BU of 4o43 by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-18
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4O5G
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BU of 4o5g by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-19
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4O24
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BU of 4o24 by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-16
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4NZV
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BU of 4nzv by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: Exonuclease, putative, MANGANESE (II) ION
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-12
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4O4K
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BU of 4o4k by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-18
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
6B33
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BU of 6b33 by Molmil
Structure of RORgt in complex with a novel inverse agonist 3
分子名称: (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I, Snell, G.
登録日2017-09-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists.
Chemmedchem, 2019
6B30
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BU of 6b30 by Molmil
Structure of RORgt in complex with a novel inverse agonist 1
分子名称: N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I.
登録日2017-09-20
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
6BR3
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BU of 6br3 by Molmil
Structure of RORgt in complex with a novel inverse agonist TAK-828.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid
著者Skene, R.J, Hoffman, I.
登録日2017-11-29
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
6BR2
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BU of 6br2 by Molmil
Structure of RORgt in complex with a novel isoquinoline inverse agonist.
分子名称: (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma
著者Skene, R.J, Hoffman, I.
登録日2017-11-29
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
1D2M
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BU of 1d2m by Molmil
UVRB PROTEIN OF THERMUS THERMOPHILUS HB8; A NUCLEOTIDE EXCISION REPAIR ENZYME
分子名称: EXCINUCLEASE ABC SUBUNIT B, SULFATE ION, octyl beta-D-glucopyranoside
著者Nakagawa, N, Sugahara, M, Masui, R, Kato, R, Fukuyama, K, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日1999-09-25
公開日2000-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Thermus thermophilus HB8 UvrB protein, a key enzyme of nucleotide excision repair.
J.Biochem.(Tokyo), 126, 1999
5AXI
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BU of 5axi by Molmil
Crystal structure of Cbl-b TKB domain in complex with Cblin
分子名称: CALCIUM ION, CHLORIDE ION, Cblin, ...
著者Ohno, A, Maita, N, Ochi, A, Nakao, R, Nikawa, T.
登録日2015-07-29
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the TKB domain of ubiquitin ligase Cbl-b complexed with its small inhibitory peptide, Cblin
Arch.Biochem.Biophys., 594, 2016
2D1H
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BU of 2d1h by Molmil
Crystal structure of ST1889 protein from thermoacidophilic archaeon Sulfolobus tokodaii
分子名称: 109aa long hypothetical transcriptional regulator
著者Shinkai, A, Sekine, S, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-08-22
公開日2006-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The putative DNA-binding protein Sto12a from the thermoacidophilic archaeon Sulfolobus tokodaii contains intrachain and interchain disulfide bonds.
J.Mol.Biol., 372, 2007
2CYE
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BU of 2cye by Molmil
Crystal structure of Thioesterase complexed with coenzyme A and Zn from Thermus thermophilus HB8
分子名称: COENZYME A, Putative thioesterase, ZINC ION
著者Hosaka, T, Kato-Murayama, M, Murayama, K, Kishishita, S, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-06
公開日2006-01-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the putative thioesterase protein TTHA1846 from Thermus thermophilus HB8 complexed with coenzyme A and a zinc ion.
Acta Crystallogr.,Sect.D, 65, 2009

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