7WRS
 
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7WRU
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3FCK
 | | Complex of UNG2 and a fragment-based design inhibitor | | 分子名称: | 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase | | 著者 | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | 登録日 | 2008-11-21 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FCI
 | | Complex of UNG2 and a fragment-based designed inhibitor | | 分子名称: | 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid, SODIUM ION, THIOCYANATE ION, ... | | 著者 | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | 登録日 | 2008-11-21 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FCF
 | | Complex of UNG2 and a fragment-based designed inhibitor | | 分子名称: | 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | | 著者 | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | 登録日 | 2008-11-21 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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3FCL
 | | Complex of UNG2 and a fragment-based designed inhibitor | | 分子名称: | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid, THIOCYANATE ION, Uracil-DNA glycosylase | | 著者 | Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T. | | 登録日 | 2008-11-21 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
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6LDK
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2HXM
 | | Complex of UNG2 and a small Molecule synthetic Inhibitor | | 分子名称: | 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID, Uracil-DNA glycosylase | | 著者 | Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T. | | 登録日 | 2006-08-03 | | 公開日 | 2006-12-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | 分子名称: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | 著者 | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | 登録日 | 2011-02-02 | | 公開日 | 2011-12-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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5KUC
 | | Crystal structure of trypsin activated Cry6Aa | | 分子名称: | Pesticidal crystal protein Cry6Aa | | 著者 | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
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5KUD
 | | Crystal structure of full length Cry6Aa | | 分子名称: | Pesticidal crystal protein Cry6Aa | | 著者 | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
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5UIU
 | | Crystal structure of IRAK4 in complex with compound 30 | | 分子名称: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | 分子名称: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | 分子名称: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIR
 | | Crystal structure of IRAK4 in complex with compound 11 | | 分子名称: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIT
 | | Crystal structure of IRAK4 in complex with compound 14 | | 分子名称: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Chang, J.S. | | 登録日 | 2017-01-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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7NFX
 | | Mammalian ribosome nascent chain complex with SRP and SRP receptor in early state A | | 分子名称: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | 著者 | Jomaa, A, Lee, J.H, Shan, S, Ban, N. | | 登録日 | 2021-02-08 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Receptor compaction and GTPase rearrangement drive SRP-mediated cotranslational protein translocation into the ER.
Sci Adv, 7, 2021
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7UVF
 | | Crystal structure of ZED8 Fab complex with CD8 alpha | | 分子名称: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | | 著者 | Yu, C, Davies, C, Koerber, J.T, Williams, S. | | 登録日 | 2022-05-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
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3Q9U
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | 分子名称: | COENZYME A, CoA binding protein, consensus ankyrin repeat | | 著者 | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | | 登録日 | 2011-01-10 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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3Q9N
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | 分子名称: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | | 著者 | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | | 登録日 | 2011-01-09 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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4QAG
 | | Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase | | 分子名称: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H | | 著者 | Himmel, D.M, Ho, W.C, Arnold, E. | | 登録日 | 2014-05-04 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.712 Å) | | 主引用文献 | Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
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3V1R
 | | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of XMRV with inhibitor beta-thujaplicinol | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, ... | | 著者 | Zhou, D, Wlodawer, A. | | 登録日 | 2011-12-09 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus.
J.Struct.Biol., 177, 2012
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3V1Q
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3V1O
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