2FSP
| NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, MINIMIZED AVERAGE STRUCTURE | 分子名称: | STAGE 0 SPORULATION PROTEIN F | 著者 | Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J. | 登録日 | 1997-06-06 | 公開日 | 1997-12-10 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition. Biochemistry, 36, 1997
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2F9U
| HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane | 分子名称: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... | 著者 | Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. | 登録日 | 2005-12-06 | 公開日 | 2006-06-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid. Bioorg.Med.Chem.Lett., 16, 2006
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7ZEZ
| Trimolecular complex Cyp33-RRMdelta alpha : MLL1-PHD3 : H3K4me3 | 分子名称: | Histone H3, Isoform 3 of Peptidyl-prolyl cis-trans isomerase E, MLL cleavage product N320, ... | 著者 | Blatter, M, Allain, F, Meylan, C. | 登録日 | 2022-03-31 | 公開日 | 2022-04-13 | 最終更新日 | 2023-05-03 | 実験手法 | SOLUTION NMR | 主引用文献 | RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription. Sci Adv, 9, 2023
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7ZEX
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8A09
| A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4 | 分子名称: | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4, GLYCEROL | 著者 | Martin, F.J.O, Rhys, G.G, Dawson, W.M, Woolfson, D.N. | 登録日 | 2022-05-27 | 公開日 | 2022-06-15 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Differential sensing with arrays of de novo designed peptide assemblies. Nat Commun, 14, 2023
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7Z01
| Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex | 分子名称: | 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J, Steinmetz, M. | 登録日 | 2022-02-21 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | In Vivo Photocontrol of Microtubule Dynamics and Integrity, Migration and Mitosis, by the Potent GFP-Imaging-Compatible Photoswitchable Reagents SBTubA4P and SBTub2M. J.Am.Chem.Soc., 144, 2022
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7Z02
| Z-SBTub2M photoswitch bound to tubulin-DARPin D1 complex | 分子名称: | 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J, Steinmetz, M. | 登録日 | 2022-02-21 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | In Vivo Photocontrol of Microtubule Dynamics and Integrity, Migration and Mitosis, by the Potent GFP-Imaging-Compatible Photoswitchable Reagents SBTubA4P and SBTub2M. J.Am.Chem.Soc., 144, 2022
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7ZEV
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7ZEW
| Complex Cyp33-RRM : AAUAAA RNA | 分子名称: | Peptidyl-prolyl cis-trans isomerase E, RNA (5'-R(*AP*AP*UP*AP*AP*A)-3') | 著者 | Blatter, M, Allain, F, Meylan, C. | 登録日 | 2022-03-31 | 公開日 | 2022-04-13 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | RNA binding induces an allosteric switch in Cyp33 to repress MLL1-mediated transcription. Sci Adv, 9, 2023
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7ZBN
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7ZLK
| AMC009 SOSIPv5.2 in complex with Fabs ACS101 and ACS124 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACS114 heavy chain, ... | 著者 | van Schooten, J, Ozorowski, G, Ward, A. | 登録日 | 2022-04-15 | 公開日 | 2022-09-21 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.99 Å) | 主引用文献 | Complementary antibody lineages achieve neutralization breadth in an HIV-1 infected elite neutralizer. Plos Pathog., 18, 2022
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2A4G
| Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | 分子名称: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | 著者 | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | 登録日 | 2005-06-28 | 公開日 | 2006-07-04 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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7ZVI
| Non-canonical Staphylococcus aureus pathogenicity island repression | 分子名称: | Orf22, Sri | 著者 | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Marina, A, Penades, J.R. | 登録日 | 2022-05-16 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.973 Å) | 主引用文献 | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
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7ZGO
| Cryo-EM structure of human NKCC1 (TM domain) | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | 登録日 | 2022-04-04 | 公開日 | 2022-10-05 | 最終更新日 | 2024-09-25 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity. Embo J., 41, 2022
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7Z9J
| ATAD2 in complex with PepLite-Gly | 分子名称: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZE6
| BRD4 in complex with FragLite10 | 分子名称: | 6-bromo-1,3-dihydro-2H-indol-2-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-30 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZEF
| BRD4 in complex with FragLite22 | 分子名称: | (4-bromo-2-methoxyphenyl)methanol, Bromodomain-containing protein 4, GLYCEROL | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-31 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZAQ
| BRD4 in complex with FragLite19 | 分子名称: | 4-bromo-2-methoxyphenol, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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4ID7
| ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | 分子名称: | Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol | 著者 | Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J. | 登録日 | 2012-12-11 | 公開日 | 2013-01-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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7Z9Y
| BRD4 in complex with FragLite2 | 分子名称: | 4-IODOPYRAZOLE, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-12-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZE7
| BRD4 in complex with FragLite21 | 分子名称: | 5-bromo-2-hydroxybenzonitrile, Bromodomain-containing protein 4, GLYCEROL | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-30 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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2A4R
| HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | 分子名称: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | 著者 | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | 登録日 | 2005-06-29 | 公開日 | 2006-07-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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7Z9W
| BRD4 in complex with FragLite1 | 分子名称: | 4-bromo-1H-pyrazole, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-21 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.988 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7ZA8
| BRD4 in complex with FragLite6 | 分子名称: | 4-bromanyl-1~{H}-pyridin-2-one, Isoform C of Bromodomain-containing protein 4 | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-03-22 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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2F8W
| Crystal structure of d(CACGTG)2 | 分子名称: | 1,3-DIAMINOPROPANE, 5'-D(*CP*AP*CP*GP*TP*G)-3', SPERMINE | 著者 | Narayana, N, Shamala, N, Ganesh, K.N, Viswamitra, M.A. | 登録日 | 2005-12-04 | 公開日 | 2006-01-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Interaction between the Z-Type DNA Duplex and 1,3-Propanediamine: Crystal Structure of d(CACGTG)2 at 1.2 A Resolution Biochemistry, 45, 2006
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